 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer17_STD_B3LYPDBJ_def2SVPD.in
 Output=12_L-valine_conformer17_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-31077.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     31079.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer17_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:36:22 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer17_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.242060000000     -0.691046000000      1.347213000000
  C                                                -1.257801000000     -0.369797000000     -0.148854000000
  C                                                 0.160880000000     -0.338750000000     -0.765763000000
  C                                                 1.057636000000      0.659612000000     -0.017001000000
  O                                                 1.945020000000      0.084751000000      0.805432000000
  C                                                -2.029648000000      0.917604000000     -0.430520000000
  N                                                 0.777212000000     -1.672850000000     -0.709690000000
  O                                                 0.958586000000      1.851003000000     -0.134549000000
  H                                                 0.071726000000      0.035438000000     -1.788895000000
  H                                                -1.773582000000     -1.187043000000     -0.668620000000
  H                                                 1.831378000000     -0.883345000000      0.671434000000
  H                                                 0.080206000000     -2.406377000000     -0.729845000000
  H                                                 1.409658000000     -1.824289000000     -1.485630000000
  H                                                -3.047160000000      0.833387000000     -0.044887000000
  H                                                -1.550296000000      1.774112000000      0.042015000000
  H                                                -2.088446000000      1.119506000000     -1.501518000000
  H                                                -2.261952000000     -0.810611000000      1.715282000000
  H                                                -0.697350000000     -1.610398000000      1.566250000000
  H                                                -0.777550000000      0.117788000000      1.914721000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 20:36:23 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.530250   0.000000
     3  C    2.560668   1.547319   0.000000
     4  C    2.995657   2.537384   1.536731   0.000000
     5  O    3.324585   3.372735   2.414780   1.339519   0.000000
     6  C    2.523566   1.527247   2.547396   3.125521   4.244904
     7  N    3.045037   2.480678   1.470657   2.449252   2.597794
     8  O    3.674299   3.137599   2.414495   1.201266   2.230754
     9  H    3.476922   2.149789   1.093053   2.121608   3.200343
    10  H    2.142921   1.097305   2.114517   3.442461   4.197415
    11  H    3.152725   3.237226   2.269952   1.858315   0.983910
    12  H    3.000820   2.505089   2.069512   3.296029   3.469917
    13  H    4.042381   3.319315   2.069899   2.906984   3.029853
    14  H    2.742303   2.158765   3.490715   4.108567   5.119117
    15  H    2.806342   2.172172   2.836338   2.836706   3.956511
    16  H    3.479905   2.176625   2.779805   3.509006   4.760418
    17  H    1.090848   2.162785   3.499765   4.022689   4.396375
    18  H    1.090823   2.189698   2.791403   3.277134   3.230247
    19  H    1.091809   2.174103   2.876469   2.719013   2.940068
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.829732   0.000000
     8  O    3.144579   3.575084   0.000000
     9  H    2.653144   2.140243   2.611447   0.000000
    10  H    2.133495   2.596968   4.120643   2.480854   0.000000
    11  H    4.400596   1.908425   2.981281   3.161290   3.857942
    12  H    3.948408   1.012070   4.387620   2.661601   2.219697
    13  H    4.523280   1.012425   3.941657   2.310977   3.347627
    14  H    1.091392   4.620499   4.133955   3.661384   2.468437
    15  H    1.089346   4.226571   2.516262   3.001029   3.053408
    16  H    1.091448   4.078755   3.418786   2.433954   2.472454
    17  H    2.764988   3.982520   4.569237   4.294311   2.462356
    18  H    3.486101   2.712588   4.197158   3.815397   2.516376
    19  H    2.776258   3.537118   3.196515   3.800635   3.060770
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.711054   0.000000
    13  H    2.390847   1.636301   0.000000
    14  H    5.221151   4.554740   5.385370   0.000000
    15  H    4.346719   4.553108   4.903419   1.770061   0.000000
    16  H    4.908987   4.210746   4.571970   1.767136   1.760854
    17  H    4.224957   3.743103   4.975349   2.533274   3.160233
    18  H    2.779167   2.551515   3.714728   3.753592   3.808637
    19  H    3.058518   3.755114   4.485301   3.082738   2.616787
                   16         17         18         19
    16  H    0.000000
    17  H    3.755430   0.000000
    18  H    4.335750   1.763476   0.000000
    19  H    3.793755   1.762144   1.764792   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.84D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.242060   -0.691046    1.347213
      2          6           0       -1.257801   -0.369797   -0.148854
      3          6           0        0.160880   -0.338750   -0.765763
      4          6           0        1.057636    0.659612   -0.017001
      5          8           0        1.945020    0.084751    0.805432
      6          6           0       -2.029648    0.917604   -0.430520
      7          7           0        0.777212   -1.672850   -0.709690
      8          8           0        0.958586    1.851003   -0.134549
      9          1           0        0.071726    0.035438   -1.788895
     10          1           0       -1.773582   -1.187043   -0.668620
     11          1           0        1.831378   -0.883345    0.671434
     12          1           0        0.080206   -2.406377   -0.729845
     13          1           0        1.409658   -1.824289   -1.485630
     14          1           0       -3.047160    0.833387   -0.044887
     15          1           0       -1.550296    1.774112    0.042015
     16          1           0       -2.088446    1.119506   -1.501518
     17          1           0       -2.261952   -0.810611    1.715282
     18          1           0       -0.697350   -1.610398    1.566250
     19          1           0       -0.777550    0.117788    1.914721
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4712723           1.7885275           1.4334947
 Leave Link  202 at Thu Aug 12 20:36:23 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   270 symmetry adapted cartesian basis functions of A   symmetry.
 There are   254 symmetry adapted basis functions of A   symmetry.
   254 basis functions,   372 primitive gaussians,   270 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       413.2608280726 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0294629772 Hartrees.
 Nuclear repulsion after empirical dispersion term =      413.2313650954 Hartrees.
 Leave Link  301 at Thu Aug 12 20:36:25 2021, MaxMem=  5368709120 cpu:               7.1 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   254 RedAO= T EigKep=  4.19D-05  NBF=   254
 NBsUse=   254 1.00D-06 EigRej= -1.00D+00 NBFU=   254
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   270   270   270   270   270 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:36:25 2021, MaxMem=  5368709120 cpu:               3.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:36:26 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer17_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:36:27 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368558415 LenY=  5368485074
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.137441804152    
 DIIS: error= 3.01D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.137441804152     IErMin= 1 ErrMin= 3.01D-03
 ErrMax= 3.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.59D-03 BMatP= 8.59D-03
 IDIUse=3 WtCom= 9.70D-01 WtEn= 3.01D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.265 Goal=   None    Shift=    0.000
 GapD=    0.265 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.02D-03 MaxDP=3.44D-01              OVMax= 1.69D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.81D-03    CP:  1.09D+00
 E= -402.144796896622     Delta-E=       -0.007355092470 Rises=F Damp=F
 DIIS: error= 7.68D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.144796896622     IErMin= 2 ErrMin= 7.68D-04
 ErrMax= 7.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-04 BMatP= 8.59D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.68D-03
 Coeff-Com:  0.549D-01 0.945D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.545D-01 0.945D+00
 Gap=     0.267 Goal=   None    Shift=    0.000
 RMSDP=3.52D-04 MaxDP=1.37D-02 DE=-7.36D-03 OVMax= 7.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.30D-04    CP:  1.10D+00  1.04D+00
 E= -402.144642802539     Delta-E=        0.000154094083 Rises=F Damp=F
 DIIS: error= 9.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -402.144796896622     IErMin= 2 ErrMin= 7.68D-04
 ErrMax= 9.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-04 BMatP= 3.98D-04
 IDIUse=3 WtCom= 2.44D-01 WtEn= 7.56D-01
 Coeff-Com: -0.151D-01 0.567D+00 0.448D+00
 Coeff-En:   0.000D+00 0.588D+00 0.412D+00
 Coeff:     -0.368D-02 0.583D+00 0.421D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=5.41D-03 DE= 1.54D-04 OVMax= 4.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.26D-05    CP:  1.10D+00  1.04D+00  6.98D-01
 E= -402.145112884335     Delta-E=       -0.000470081796 Rises=F Damp=F
 DIIS: error= 1.50D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.145112884335     IErMin= 4 ErrMin= 1.50D-04
 ErrMax= 1.50D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.15D-05 BMatP= 3.98D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.50D-03
 Coeff-Com: -0.101D-01 0.291D+00 0.231D+00 0.488D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.101D-01 0.290D+00 0.231D+00 0.489D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=2.74D-05 MaxDP=1.02D-03 DE=-4.70D-04 OVMax= 8.13D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.57D-05    CP:  1.10D+00  1.04D+00  6.90D-01  1.03D+00
 E= -402.145122446167     Delta-E=       -0.000009561833 Rises=F Damp=F
 DIIS: error= 3.56D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.145122446167     IErMin= 5 ErrMin= 3.56D-05
 ErrMax= 3.56D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.88D-07 BMatP= 1.15D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.335D-02 0.758D-01 0.620D-01 0.240D+00 0.625D+00
 Coeff:     -0.335D-02 0.758D-01 0.620D-01 0.240D+00 0.625D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=7.60D-06 MaxDP=2.51D-04 DE=-9.56D-06 OVMax= 5.36D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.68D-06    CP:  1.10D+00  1.04D+00  6.96D-01  1.03D+00  9.08D-01
 E= -402.145122924167     Delta-E=       -0.000000478000 Rises=F Damp=F
 DIIS: error= 2.50D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.145122924167     IErMin= 6 ErrMin= 2.50D-05
 ErrMax= 2.50D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-07 BMatP= 9.88D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.573D-03 0.314D-02 0.383D-02 0.810D-01 0.440D+00 0.473D+00
 Coeff:     -0.573D-03 0.314D-02 0.383D-02 0.810D-01 0.440D+00 0.473D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=3.50D-06 MaxDP=1.73D-04 DE=-4.78D-07 OVMax= 2.49D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.21D-06    CP:  1.10D+00  1.04D+00  6.98D-01  1.04D+00  9.14D-01
                    CP:  6.99D-01
 E= -402.145123258081     Delta-E=       -0.000000333913 Rises=F Damp=F
 DIIS: error= 4.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.145123258081     IErMin= 7 ErrMin= 4.00D-06
 ErrMax= 4.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-08 BMatP= 4.42D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.625D-04-0.342D-02-0.221D-02 0.238D-01 0.181D+00 0.238D+00
 Coeff-Com:  0.563D+00
 Coeff:     -0.625D-04-0.342D-02-0.221D-02 0.238D-01 0.181D+00 0.238D+00
 Coeff:      0.563D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.19D-06 MaxDP=6.61D-05 DE=-3.34D-07 OVMax= 2.76D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.31D-07    CP:  1.10D+00  1.04D+00  6.99D-01  1.04D+00  9.31D-01
                    CP:  6.67D-01  7.87D-01
 E= -402.145123268940     Delta-E=       -0.000000010860 Rises=F Damp=F
 DIIS: error= 9.79D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.145123268940     IErMin= 8 ErrMin= 9.79D-07
 ErrMax= 9.79D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.95D-10 BMatP= 1.25D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.144D-05-0.143D-02-0.104D-02 0.451D-02 0.481D-01 0.706D-01
 Coeff-Com:  0.261D+00 0.618D+00
 Coeff:      0.144D-05-0.143D-02-0.104D-02 0.451D-02 0.481D-01 0.706D-01
 Coeff:      0.261D+00 0.618D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=2.83D-07 MaxDP=2.21D-05 DE=-1.09D-08 OVMax= 7.57D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.14D-07    CP:  1.10D+00  1.04D+00  6.99D-01  1.04D+00  9.30D-01
                    CP:  6.69D-01  7.60D-01  8.74D-01
 E= -402.145123269591     Delta-E=       -0.000000000651 Rises=F Damp=F
 DIIS: error= 3.39D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.145123269591     IErMin= 9 ErrMin= 3.39D-07
 ErrMax= 3.39D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.63D-11 BMatP= 7.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.109D-04-0.430D-03-0.336D-03-0.558D-03 0.464D-02 0.886D-02
 Coeff-Com:  0.697D-01 0.301D+00 0.617D+00
 Coeff:      0.109D-04-0.430D-03-0.336D-03-0.558D-03 0.464D-02 0.886D-02
 Coeff:      0.697D-01 0.301D+00 0.617D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.10D-07 MaxDP=8.07D-06 DE=-6.51D-10 OVMax= 2.31D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.53D-08    CP:  1.10D+00  1.04D+00  6.99D-01  1.04D+00  9.31D-01
                    CP:  6.73D-01  7.84D-01  8.84D-01  7.25D-01
 E= -402.145123269677     Delta-E=       -0.000000000085 Rises=F Damp=F
 DIIS: error= 5.90D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.145123269677     IErMin=10 ErrMin= 5.90D-08
 ErrMax= 5.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.92D-12 BMatP= 8.63D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.426D-05-0.840D-04-0.655D-04-0.579D-03-0.124D-02-0.127D-02
 Coeff-Com:  0.126D-01 0.831D-01 0.247D+00 0.661D+00
 Coeff:      0.426D-05-0.840D-04-0.655D-04-0.579D-03-0.124D-02-0.127D-02
 Coeff:      0.126D-01 0.831D-01 0.247D+00 0.661D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=1.71D-08 MaxDP=3.76D-07 DE=-8.55D-11 OVMax= 4.88D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.47D-08    CP:  1.10D+00  1.04D+00  6.99D-01  1.04D+00  9.31D-01
                    CP:  6.73D-01  7.85D-01  8.91D-01  7.23D-01  8.94D-01
 E= -402.145123269686     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 3.11D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.145123269686     IErMin=11 ErrMin= 3.11D-08
 ErrMax= 3.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-13 BMatP= 3.92D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-05-0.805D-05-0.496D-05-0.245D-03-0.900D-03-0.130D-02
 Coeff-Com:  0.130D-02 0.179D-01 0.754D-01 0.342D+00 0.566D+00
 Coeff:      0.123D-05-0.805D-05-0.496D-05-0.245D-03-0.900D-03-0.130D-02
 Coeff:      0.130D-02 0.179D-01 0.754D-01 0.342D+00 0.566D+00
 Gap=     0.262 Goal=   None    Shift=    0.000
 RMSDP=7.72D-09 MaxDP=6.47D-07 DE=-8.64D-12 OVMax= 1.42D-07

 SCF Done:  E(RB3LYP) =  -402.145123270     A.U. after   11 cycles
            NFock= 11  Conv=0.77D-08     -V/T= 2.0104
 KE= 3.979972636335D+02 PE=-1.763172634700D+03 EE= 5.497988827018D+02
 Leave Link  502 at Thu Aug 12 20:37:35 2021, MaxMem=  5368709120 cpu:             541.7 elap:              68.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   254
 NBasis=   254 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    254 NOA=    32 NOB=    32 NVA=   222 NVB=   222

 **** Warning!!: The largest alpha MO coefficient is  0.30944544D+02

 Leave Link  801 at Thu Aug 12 20:37:35 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5761 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 2.70D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 2.82D-01 6.15D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 3.73D-02 2.64D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.67D-03 6.24D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 5.31D-05 1.15D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 1.50D-06 2.56D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 2.50D-08 2.63D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.69D-10 3.45D-06.
      9 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 2.83D-12 2.39D-07.
      3 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.28D-14 1.29D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   100 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.809699D+02
      2 -0.258153D+01  0.829562D+02
      3  0.197897D+01 -0.127772D+01  0.729353D+02
 Isotropic polarizability for W=    0.088559       78.95 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.752202D+02  0.120488D+02  0.221648D+02
      2   0.414606D+02 -0.862198D+01 -0.161925D+02
      3   0.337597D+02 -0.342686D+01 -0.597233D+01
      4  -0.111844D+02 -0.247245D+02  0.129428D+02
      5   0.156897D+02  0.101402D+02 -0.513400D+02
      6   0.121583D+02 -0.133525D+02 -0.213777D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.210185D+01  0.205863D+01  0.772870D+01
      2   0.115223D+02  0.251338D+01 -0.270675D+02
      3  -0.104430D+02  0.121758D+02 -0.235390D+00
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.280260D+01  0.283996D+01  0.179509D+02
      2   0.647518D+01  0.784570D+00 -0.850997D+02
      3  -0.232332D+02  0.661851D+02  0.201803D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.438344D+00 -0.223084D+01  0.182739D-01
      2  -0.223084D+01 -0.972478D+00  0.135859D+01
      3   0.182739D-01  0.135859D+01  0.710270D+00
 OR G Eigenvalues:    -2.9529     0.6498     2.4792  Iso=    -0.0587
 Eigenvectors:
   (1)   0.525713   0.796716  -0.298111
   (2)   0.543087  -0.044614   0.838491
   (3)   0.654739  -0.602705  -0.456140
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0587 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -25.41 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   32385 ScalPx= 6.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.50D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.97D-14 2.78D-09 XBig12= 1.00D+00 3.28D-01.
     30 vectors produced by pass  1 Test12= 1.97D-14 2.78D-09 XBig12= 6.92D-02 3.88D-02.
     30 vectors produced by pass  2 Test12= 1.97D-14 2.78D-09 XBig12= 8.03D-04 6.28D-03.
     30 vectors produced by pass  3 Test12= 1.97D-14 2.78D-09 XBig12= 8.91D-06 3.48D-04.
     30 vectors produced by pass  4 Test12= 1.97D-14 2.78D-09 XBig12= 4.31D-08 2.11D-05.
     30 vectors produced by pass  5 Test12= 1.97D-14 2.78D-09 XBig12= 1.36D-10 1.07D-06.
     29 vectors produced by pass  6 Test12= 1.97D-14 2.78D-09 XBig12= 2.45D-13 5.19D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   209 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.08D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   32385 ScalPx= 2.08D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   32385 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.32D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.809699D+02 -0.258153D+01  0.197897D+01
      2  -0.258153D+01  0.829562D+02 -0.127772D+01
      3   0.197897D+01 -0.127772D+01  0.729353D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.210185D+01  0.205863D+01  0.772870D+01
      2   0.115223D+02  0.251338D+01 -0.270675D+02
      3  -0.104430D+02  0.121758D+02 -0.235390D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.752202D+02  0.120488D+02  0.221648D+02
      2   0.414606D+02 -0.862198D+01 -0.161925D+02
      3   0.337597D+02 -0.342686D+01 -0.597233D+01
      4  -0.111844D+02 -0.247245D+02  0.129428D+02
      5   0.156897D+02  0.101402D+02 -0.513400D+02
      6   0.121583D+02 -0.133525D+02 -0.213777D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.528017D+01  0.160304D+01 -0.427197D+01  0.116062D+01 -0.358747D+01
      2   0.160304D+01 -0.359584D+01 -0.677917D+00 -0.358747D+01  0.169108D+01
      3  -0.427197D+01 -0.677917D+00  0.226290D+00 -0.423451D+00 -0.300606D+01
                 6             7             8             9            10 
      1  -0.423451D+00 -0.314688D+01 -0.525935D+00 -0.207435D+00 -0.475317D+01
      2  -0.300606D+01 -0.525935D+00 -0.209385D+01 -0.236798D+01 -0.141701D+00
      3  -0.188632D+01 -0.207435D+00 -0.236798D+01  0.258450D+01  0.324204D+01
                11            12            13            14            15 
      1  -0.141701D+00  0.324204D+01  0.118187D+01  0.464390D+01  0.859302D+00
      2   0.386990D+01  0.884145D+00  0.464390D+01  0.169442D+01  0.316247D+01
      3   0.884145D+00  0.340356D+00  0.859302D+00  0.316247D+01  0.294067D+01
                16            17            18            19            20 
      1   0.486705D+01  0.108719D+01  0.351269D+00  0.451486D+01 -0.642111D-01
      2   0.108719D+01  0.312911D+01  0.374614D+01 -0.642111D-01 -0.199284D+01
      3   0.351269D+00  0.374614D+01 -0.368457D+01 -0.190126D+01 -0.127086D+01
                21            22            23            24            25 
      1  -0.190126D+01  0.159977D+00 -0.279245D+01 -0.110760D+01 -0.250465D+01
      2  -0.127086D+01 -0.279245D+01  0.216024D+00  0.220904D+00 -0.141468D+01
      3   0.516129D+00 -0.110760D+01  0.220904D+00 -0.255119D+01  0.102967D+01
                26            27            28            29            30 
      1  -0.141468D+01  0.102967D+01  0.207764D+00  0.108549D+01 -0.109639D-01
      2  -0.823745D+00 -0.321558D+01  0.108549D+01  0.269173D+01  0.137392D+01
      3  -0.321558D+01  0.443784D+01 -0.109639D-01  0.137392D+01  0.384190D+00
                31            32            33            34            35 
      1  -0.111749D+01  0.225144D-01  0.979017D+00 -0.115279D+01  0.149847D+01
      2   0.225144D-01 -0.637178D+01  0.115244D+01  0.149847D+01  0.254964D+01
      3   0.979017D+00  0.115244D+01  0.816477D+00 -0.366364D+00  0.158109D+01
                36            37            38            39            40 
      1  -0.366364D+00  0.546283D+01 -0.101836D+01  0.210491D+01  0.534237D+00
      2   0.158109D+01 -0.101836D+01  0.160887D+00 -0.125989D+00  0.198253D+01
      3  -0.247824D+00  0.210491D+01 -0.125989D+00  0.126759D+01  0.118806D+01
                41            42            43            44            45 
      1   0.198253D+01  0.118806D+01  0.283280D+01 -0.126881D+00  0.234634D+01
      2   0.453138D+01  0.207080D+01 -0.126881D+00  0.346635D+00 -0.685576D+00
      3   0.207080D+01  0.111940D+01  0.234634D+01 -0.685576D+00  0.343705D+01
                46            47            48            49            50 
      1   0.606863D+01  0.255487D+00 -0.297825D+01  0.103381D+01 -0.332173D+01
      2   0.255487D+00 -0.333146D+01 -0.356393D+00 -0.332173D+01 -0.822652D+00
      3  -0.297825D+01 -0.356393D+00  0.325626D+00 -0.617742D+00 -0.196023D+01
                51            52            53            54            55 
      1  -0.617742D+00 -0.374860D+01 -0.374257D+00  0.114203D+01  0.670305D+00
      2  -0.196023D+01 -0.374257D+00 -0.166717D+01 -0.300879D+01  0.956447D+00
      3  -0.210374D+01  0.114203D+01 -0.300879D+01  0.636439D+01  0.205322D+01
                56            57            58            59            60 
      1   0.956447D+00  0.205322D+01  0.582689D+00  0.352485D+01  0.966330D-01
      2   0.394823D+01  0.292134D+00  0.352485D+01  0.883208D+00  0.109835D+01
      3   0.292134D+00 -0.191846D+01  0.966330D-01  0.109835D+01  0.758102D+00
                61            62            63            64            65 
      1   0.311071D+01 -0.114158D+01 -0.255717D+01 -0.117517D+01  0.276360D+01
      2  -0.114158D+01  0.231662D+01  0.113463D+01  0.276360D+01  0.122503D+00
      3  -0.255717D+01  0.113463D+01  0.196429D+01 -0.482285D+00 -0.529116D+00
                66            67            68            69            70 
      1  -0.482285D+00  0.421401D+01  0.128804D+01 -0.787012D-01 -0.258236D+00
      2  -0.529116D+00  0.128804D+01  0.135844D+02 -0.132011D+01 -0.581943D+00
      3  -0.295494D+00 -0.787012D-01 -0.132011D+01  0.202691D+01  0.264947D+00
                71            72            73            74            75 
      1  -0.581943D+00  0.264947D+00 -0.128140D+01  0.508677D+00 -0.902126D+00
      2  -0.949574D+00  0.257493D+01  0.508677D+00 -0.106291D+00  0.166867D+00
      3   0.257493D+01 -0.856855D+00 -0.902126D+00  0.166867D+00 -0.417223D+00
                76            77            78            79            80 
      1   0.716604D+00  0.697337D-01  0.156146D+00 -0.131651D+01  0.544598D+00
      2   0.697337D-01  0.129430D+01 -0.166785D+01  0.544598D+00 -0.199790D+01
      3   0.156146D+00 -0.166785D+01  0.208376D+01 -0.159855D+00  0.185005D+01
                81            82            83            84            85 
      1  -0.159855D+00 -0.232091D+01 -0.169028D+01 -0.170695D+01 -0.259127D+01
      2   0.185005D+01 -0.169028D+01 -0.237399D+01 -0.817900D+00 -0.266187D+01
      3  -0.788230D+01 -0.170695D+01 -0.817900D+00 -0.135173D+01 -0.852526D+00
                86            87            88            89            90 
      1  -0.266187D+01 -0.852526D+00 -0.244633D+01 -0.889873D+00 -0.129556D+01
      2  -0.525561D+01 -0.222711D+01 -0.889873D+00 -0.249195D+01 -0.222738D+01
      3  -0.222711D+01 -0.224469D+01 -0.129556D+01 -0.222738D+01 -0.198745D+01
                91            92            93            94            95 
      1   0.128959D+01 -0.874977D+00  0.940541D-01 -0.260109D+01 -0.106194D+00
      2  -0.874977D+00 -0.116439D+00 -0.608433D+00 -0.106194D+00 -0.555933D+01
      3   0.940541D-01 -0.608433D+00  0.127711D+00 -0.187240D+01 -0.628627D+00
                96            97            98            99           100 
      1  -0.187240D+01  0.845269D-01 -0.671555D+00  0.851688D-01 -0.235709D+01
      2  -0.628627D+00 -0.671555D+00 -0.347974D+00 -0.100001D+01 -0.197097D+01
      3  -0.249021D+01  0.851688D-01 -0.100001D+01  0.847023D+00 -0.363995D-01
               101           102           103           104           105 
      1  -0.197097D+01 -0.363995D-01 -0.219962D+01 -0.220302D+01 -0.301195D+00
      2  -0.455383D+01 -0.807275D+00 -0.220302D+01 -0.724987D+01 -0.137266D+01
      3  -0.807275D+00 -0.668522D+00 -0.301195D+00 -0.137266D+01 -0.127846D+01
               106           107           108           109           110 
      1   0.226343D+00  0.385236D-01  0.864620D-01  0.379014D+01 -0.182672D+01
      2   0.385236D-01 -0.527187D+00 -0.809031D+00 -0.182672D+01  0.176593D+01
      3   0.864620D-01 -0.809031D+00 -0.271824D+00 -0.249024D+01  0.133394D+01
               111           112           113           114           115 
      1  -0.249024D+01 -0.734727D+00  0.107102D+01  0.617018D+00 -0.318609D+01
      2   0.133394D+01  0.107102D+01 -0.160634D+01 -0.122878D+01  0.161655D+01
      3   0.313315D+01  0.617018D+00 -0.122878D+01 -0.103601D+01  0.311178D+01
               116           117           118           119           120 
      1   0.161655D+01  0.311178D+01 -0.101843D+02  0.141482D+01  0.165912D+01
      2  -0.213339D+01 -0.219807D+01  0.141482D+01 -0.114142D+01 -0.408885D-02
      3  -0.219807D+01 -0.390557D+01  0.165912D+01 -0.408885D-02 -0.152667D+01
               121           122           123           124           125 
      1  -0.631442D+00 -0.737400D+00  0.674237D-01  0.296918D+01 -0.509079D+00
      2  -0.737400D+00  0.166411D+00  0.503510D+00 -0.509079D+00  0.799321D+00
      3   0.674237D-01  0.503510D+00 -0.776908D-01 -0.164269D+01  0.395700D+00
               126           127           128           129           130 
      1  -0.164269D+01  0.135096D+01  0.700203D+00  0.776711D+00  0.158593D+01
      2   0.395700D+00  0.700203D+00  0.189109D+01  0.393468D+00  0.640108D+00
      3   0.483452D+00  0.776711D+00  0.393468D+00  0.743606D+00  0.377965D+00
               131           132           133           134           135 
      1   0.640108D+00  0.377965D+00  0.130146D+01  0.874291D-01  0.177154D+00
      2   0.530585D+01  0.130223D+01  0.874291D-01  0.226285D+01  0.153726D+01
      3   0.130223D+01  0.158389D+01  0.177154D+00  0.153726D+01  0.706830D+00
               136           137           138           139           140 
      1  -0.110025D+01  0.370165D+00 -0.914190D+00  0.135783D+00 -0.104354D+00
      2   0.370165D+00  0.193310D+00  0.184758D+00 -0.104354D+00  0.124363D+01
      3  -0.914190D+00  0.184758D+00 -0.587911D+00  0.379896D+00 -0.126834D+01
               141           142           143           144           145 
      1   0.379896D+00 -0.173398D+01  0.879661D+00 -0.166046D+01 -0.779399D+01
      2  -0.126834D+01  0.879661D+00 -0.199827D+01  0.254900D+01 -0.120985D+01
      3   0.144625D+01 -0.166046D+01  0.254900D+01 -0.836816D+01  0.372126D+01
               146           147           148           149           150 
      1  -0.120985D+01  0.372126D+01 -0.920181D+00 -0.822009D+00  0.427702D+00
      2  -0.105614D+01  0.805804D+00 -0.822009D+00 -0.814142D+00  0.940467D+00
      3   0.805804D+00 -0.324624D+01  0.427702D+00  0.940467D+00 -0.137020D+00
               151           152           153           154           155 
      1   0.233575D+01  0.420576D+00 -0.214634D+01  0.127878D+01 -0.162866D+01
      2   0.420576D+00  0.612025D+00 -0.248202D+00 -0.162866D+01  0.226931D+01
      3  -0.214634D+01 -0.248202D+00  0.201973D+01  0.897625D+00 -0.779462D+00
               156           157           158           159           160 
      1   0.897625D+00 -0.188010D+01  0.192375D+01 -0.317318D+00  0.652300D+00
      2  -0.779462D+00  0.192375D+01 -0.564265D+01  0.233073D+01 -0.385772D+00
      3   0.140196D+01 -0.317318D+00  0.233073D+01 -0.217488D+01  0.720243D+00
               161           162           163           164           165 
      1  -0.385772D+00  0.720243D+00  0.105224D+01  0.767798D+00  0.114567D+01
      2   0.141920D+01 -0.119747D+01  0.767798D+00  0.135536D+01  0.542393D+00
      3  -0.119747D+01  0.107914D+01  0.114567D+01  0.542393D+00  0.154564D+01
               166           167           168           169           170 
      1   0.137039D+01  0.117005D+01  0.421770D+00  0.111392D+01  0.448554D+00
      2   0.117005D+01  0.271172D+01  0.189786D+01  0.448554D+00  0.159560D+01
      3   0.421770D+00  0.189786D+01  0.320475D+01  0.720794D+00  0.158928D+01
               171 
      1   0.720794D+00
      2   0.158928D+01
      3   0.328030D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.611328D+00 -0.757663D+01 -0.947850D+00 -0.667979D+01  0.221219D+01
      2  -0.230468D+01 -0.275689D+01  0.111713D+02 -0.211499D+01  0.110120D+02
      3  -0.199487D+01 -0.873092D+01  0.242728D+01 -0.456655D+01  0.495800D+01
                 6             7             8             9            10 
      1  -0.105612D+02 -0.102087D+01 -0.411185D+01 -0.386699D+00  0.183860D+01
      2   0.361408D+01  0.430403D+01  0.418422D+01 -0.405802D+01 -0.829088D+01
      3  -0.402372D+01  0.161249D+01 -0.244716D+01 -0.328358D+01  0.212789D+01
                11            12            13            14            15 
      1   0.545412D-01  0.472104D-01 -0.321631D-01  0.339366D+00 -0.336986D+01
      2  -0.229961D+01  0.389675D+01  0.197450D+01 -0.245541D+01 -0.330729D+01
      3   0.362004D+01  0.195433D+01  0.929757D+01 -0.996645D+00  0.369005D+01
                16            17            18            19            20 
      1  -0.158329D+01  0.230236D+01 -0.188454D+01 -0.223068D+01  0.149189D+01
      2  -0.117515D+01 -0.237996D+01  0.502941D+01  0.165352D+01  0.704596D+00
      3  -0.161500D+01  0.279683D+01  0.431873D+01 -0.835699D+00 -0.366598D+01
                21            22            23            24            25 
      1  -0.121367D+01  0.424191D+01 -0.316311D+00  0.625779D+00  0.269514D+01
      2  -0.106375D+01 -0.794919D+00 -0.212913D+01  0.238948D+01 -0.766770D+01
      3  -0.393047D-01  0.356134D+01 -0.310936D+00 -0.286043D+01  0.136855D+01
                26            27            28            29            30 
      1   0.413853D+01  0.259372D+01 -0.116299D+01 -0.449391D+01  0.822896D+00
      2  -0.156445D+01  0.308652D+01  0.119470D+02  0.433975D+01  0.241047D+01
      3  -0.655710D+00  0.154964D+00 -0.332440D+01 -0.800958D+01 -0.284940D+01
                31            32            33            34            35 
      1  -0.363936D+01  0.649632D+00  0.692879D+01  0.285800D+01  0.699419D+01
      2  -0.113772D+01  0.131810D+01 -0.465429D+00 -0.951426D+01 -0.223921D+01
      3  -0.597438D+01  0.900642D+01  0.240034D+01 -0.791959D+00  0.357751D+01
                36            37            38            39            40 
      1  -0.147451D+01 -0.887012D+00  0.372546D+01  0.548152D+00  0.297370D+01
      2  -0.921487D+01 -0.164844D+01 -0.153301D+01  0.518433D+01  0.243261D+00
      3  -0.494514D+00  0.238883D+01 -0.674007D+01  0.971051D+00 -0.182251D+01
                41            42            43            44            45 
      1   0.942616D+01  0.409436D+00 -0.111013D+01  0.493024D+01 -0.440748D+00
      2   0.360198D+01  0.330608D+01  0.255691D+01  0.902872D+00  0.905967D+01
      3  -0.148775D+02 -0.640621D+01 -0.164048D+01 -0.546579D+01  0.893397D+00
                46            47            48            49            50 
      1   0.322080D+01  0.269979D+01 -0.432771D+00  0.243601D+01  0.221850D+01
      2   0.104967D+02  0.116411D+01 -0.730396D+00  0.144456D+01  0.277119D+01
      3   0.825936D+01 -0.121492D+02 -0.467363D+01 -0.504113D+01 -0.667182D+01
                51            52            53            54            55 
      1   0.188557D+01 -0.255091D+01  0.739721D+01 -0.760705D+01  0.434008D+01
      2   0.474990D+01 -0.732211D+01  0.714430D+01 -0.139769D+02  0.320316D+01
      3  -0.547691D+01 -0.514593D+01 -0.494927D+01 -0.568324D+01 -0.378933D+01
                56            57            58            59            60 
      1  -0.372009D+01 -0.341335D+01 -0.340968D+01  0.349899D+01 -0.356199D+01
      2  -0.765110D+00  0.220225D+01 -0.776711D+00  0.435831D+01 -0.110397D+01
      3  -0.130598D+02 -0.499501D+01 -0.249384D+01 -0.825568D+01 -0.156811D+01
                61            62            63            64            65 
      1  -0.600125D+01  0.605675D+01  0.402885D+01  0.134366D+01  0.764511D+00
      2  -0.530812D+01  0.145345D+01  0.186605D+01 -0.359462D+01 -0.180000D+01
      3  -0.362712D+01 -0.695189D+00  0.451425D+01 -0.477259D+01  0.118971D+00
                66            67            68            69            70 
      1  -0.887175D+00 -0.109927D+01 -0.135882D+01 -0.129028D+02 -0.892865D+00
      2   0.154429D+01  0.379571D+01 -0.184897D+00  0.229039D+01 -0.140619D+01
      3   0.102253D+01  0.138821D+02 -0.157411D+02  0.145358D+01  0.111063D+01
                71            72            73            74            75 
      1  -0.254755D-02  0.571044D+00 -0.677331D+00  0.559678D+00 -0.164049D+00
      2   0.478087D+01  0.120347D+01 -0.139081D+01  0.686753D+00 -0.694813D-02
      3  -0.413261D+00 -0.432962D+01  0.308606D+00 -0.443711D+00  0.542578D+00
                76            77            78            79            80 
      1  -0.161812D+00 -0.219540D+01  0.356376D+00 -0.105843D+01  0.476187D+01
      2   0.156980D+01 -0.693630D+00 -0.153830D+00 -0.368726D+01  0.892735D+00
      3   0.179034D+01 -0.294365D-01  0.949428D+00 -0.371819D+00  0.161332D+00
                81            82            83            84            85 
      1  -0.142374D+01 -0.467626D+00  0.625858D+00 -0.131124D+01  0.504755D+00
      2   0.422097D-01  0.884045D+00  0.520979D+00  0.249780D+01 -0.181880D+01
      3  -0.476749D+00 -0.342975D+00 -0.442113D+01 -0.283422D+00  0.133805D+01
                86            87            88            89            90 
      1   0.112082D+01 -0.247236D+01 -0.290624D+00  0.151469D+01 -0.631916D+00
      2   0.121635D+01  0.354793D+01 -0.174697D+01  0.226081D+01  0.216021D+01
      3  -0.655026D+01 -0.300124D+01  0.183451D+01 -0.332205D+01 -0.245274D+01
                91            92            93            94            95 
      1  -0.127009D+00 -0.244490D+01  0.201421D+00 -0.260295D+01 -0.113696D+02
      2   0.208994D+01  0.514633D-01  0.801771D-01 -0.107505D+01 -0.191960D+01
      3   0.158635D+00  0.111956D+01  0.946992D+00  0.286082D+01  0.183491D+02
                96            97            98            99           100 
      1  -0.378440D+01 -0.662756D+00 -0.952994D+00  0.113339D+01  0.103109D+01
      2  -0.547267D+01 -0.872061D+00 -0.263276D+01  0.181363D-01 -0.193773D+01
      3   0.451036D+01  0.698913D+00  0.337143D+01  0.257095D+01  0.946811D+01
               101           102           103           104           105 
      1   0.210044D+01 -0.213509D+01  0.395153D+00  0.282801D+01 -0.299672D+01
      2  -0.855417D+00  0.745871D+00 -0.165362D+01 -0.177035D+01 -0.149771D+00
      3   0.680788D+01  0.486031D+00  0.832862D+01  0.107405D+02  0.243394D+01
               106           107           108           109           110 
      1   0.317919D+00 -0.916458D-01  0.612491D+00 -0.369666D+01  0.133320D+01
      2   0.150006D+00 -0.182658D+00  0.398543D+00  0.408359D+00  0.595298D+00
      3  -0.835396D+00  0.299509D+00  0.195906D+00 -0.554892D+01  0.936971D+00
               111           112           113           114           115 
      1   0.658162D+01  0.531816D+00 -0.108361D+01 -0.197716D+01  0.501262D+01
      2   0.318453D+01 -0.429320D-01 -0.317458D+00 -0.957747D+00 -0.410786D+00
      3   0.346525D+01  0.149768D+01  0.232064D+00 -0.184239D+00  0.506274D+01
               116           117           118           119           120 
      1  -0.151248D+01 -0.636745D+01 -0.266974D+01  0.705631D-01  0.204409D+01
      2  -0.139079D+01 -0.303200D+01 -0.846590D+01  0.469786D+00  0.739873D+01
      3  -0.257745D+00 -0.417768D+01 -0.857819D+01 -0.423271D+01  0.223235D+01
               121           122           123           124           125 
      1   0.439446D+00 -0.592395D+00 -0.924119D+00  0.156771D+01  0.256721D+00
      2  -0.119274D+00 -0.174007D+01  0.321287D+00  0.423900D+01 -0.869532D+00
      3  -0.113955D+01 -0.596626D+00  0.140336D+01  0.231125D+01  0.237703D+01
               126           127           128           129           130 
      1  -0.846655D+00 -0.141804D+01 -0.108954D+01 -0.164409D+01 -0.116193D+01
      2  -0.255709D+01 -0.158974D+01 -0.553253D+00 -0.820367D+00 -0.668804D+00
      3  -0.583726D+00  0.645122D+01  0.572157D+01  0.239625D+01  0.739949D+01
               131           132           133           134           135 
      1  -0.376593D+01 -0.463263D+01 -0.403859D+00 -0.157541D+01 -0.207342D+01
      2  -0.268583D+01 -0.298499D+01 -0.146755D+01 -0.293767D+01 -0.133860D+01
      3   0.134283D+02  0.428198D+01  0.278651D+01  0.541021D+01  0.378840D+01
               136           137           138           139           140 
      1   0.632506D+00 -0.443229D+00  0.573540D+00 -0.512975D+00  0.208442D+00
      2   0.132860D+01 -0.574179D+00  0.175725D+01 -0.410519D+00  0.254673D+01
      3   0.114207D-01  0.177572D+00 -0.977772D-01  0.139439D+01  0.275022D+01
               141           142           143           144           145 
      1  -0.205489D+01  0.725856D+00  0.130180D+01  0.859080D+01  0.113135D+01
      2  -0.318866D+01 -0.744596D+00 -0.445904D+01  0.176812D+02  0.815604D+01
      3  -0.230837D+01 -0.437140D+00 -0.406287D+01  0.452059D+01  0.498703D+01
               146           147           148           149           150 
      1  -0.208896D+01 -0.166005D+01 -0.434858D+00 -0.275673D+00  0.201465D+00
      2   0.391454D+00  0.181597D+01  0.986988D+00 -0.630328D+00 -0.312567D+00
      3  -0.301652D+01 -0.140542D+01  0.571506D+00 -0.717756D+00  0.956771D+00
               151           152           153           154           155 
      1  -0.100210D+01  0.198356D+01  0.115060D+01 -0.229044D+01  0.446351D+01
      2  -0.259496D+01 -0.621787D+00 -0.131419D+00 -0.501888D+01  0.411250D+01
      3  -0.135893D+01  0.127662D+01  0.147430D+01 -0.463172D+01  0.377572D+01
               156           157           158           159           160 
      1   0.131118D+01  0.413818D+01 -0.817169D+01 -0.103776D+01  0.267546D+00
      2  -0.178784D+01  0.500034D+01 -0.711091D+01  0.265290D+01 -0.309496D+01
      3  -0.138088D+01  0.687972D+01 -0.864959D+01  0.269388D+01 -0.129505D+01
               161           162           163           164           165 
      1   0.231427D+01 -0.735879D+00  0.270079D+01  0.396780D+01  0.167922D+01
      2   0.229548D+01 -0.206881D+01 -0.493743D+01 -0.253808D+01 -0.301239D+01
      3   0.182302D+01 -0.245714D+01  0.948459D+00  0.713223D+00 -0.811373D-01
               166           167           168           169           170 
      1   0.308555D+01  0.726618D+01  0.340051D+01  0.184145D+01  0.577285D+01
      2  -0.440181D+01 -0.518706D+01 -0.477513D+01 -0.472364D+01 -0.334570D+01
      3   0.272269D+01  0.264159D+01  0.204387D+01  0.333226D+00  0.117556D+01
               171 
      1   0.455305D+01
      2  -0.515602D+01
      3   0.150749D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.140354D+02 -0.827377D+01  0.181740D+02 -0.752655D+01  0.192091D+02
      2   0.135780D+02  0.125490D+02 -0.917303D+01  0.112246D+02 -0.916607D+01
      3   0.457361D+00 -0.427525D+01 -0.900098D+01 -0.369804D+01 -0.100431D+02
      4  -0.110707D+02  0.498211D+01  0.741120D+01  0.631618D+01  0.148602D+01
      5   0.256861D+02  0.525318D+01 -0.122660D+02  0.318261D+01 -0.145475D+01
      6   0.884614D+01 -0.951101D+01 -0.349446D+01 -0.875324D+01  0.639966D+01
                 6             7             8             9            10 
      1   0.415290D+01  0.130946D+02  0.396333D+01 -0.717396D+01  0.104330D+02
      2   0.886833D+01 -0.650387D+01  0.672618D+01 -0.134842D+01 -0.124939D+02
      3  -0.130212D+02 -0.659076D+01 -0.106895D+02  0.852237D+01  0.206093D+01
      4   0.567891D+01  0.609498D+01  0.408410D+01  0.554689D+01 -0.525842D+01
      5   0.147922D+01 -0.948302D+01  0.356955D+01 -0.522934D+01 -0.119105D+02
      6  -0.761751D+01 -0.208194D+01 -0.548317D+01 -0.769072D+01 -0.590421D+01
                11            12            13            14            15 
      1   0.776119D-01 -0.950029D+01  0.323756D+01 -0.109145D+02 -0.171424D+01
      2  -0.105626D+01  0.393384D+01 -0.259148D+01 -0.638899D+00 -0.397127D+01
      3   0.978645D+00  0.556644D+01 -0.646088D+00  0.115534D+02  0.568551D+01
      4  -0.154352D+02 -0.529898D+01 -0.152181D+02 -0.931145D+01 -0.117390D+02
      5  -0.313360D+01 -0.129380D+01 -0.936071D+00 -0.132459D+02 -0.772880D+01
      6  -0.513168D+01 -0.860127D+00 -0.562707D+01 -0.543144D+01 -0.293467D+01
                16            17            18            19            20 
      1  -0.109708D+02 -0.122135D+01  0.250440D+01 -0.776197D+01 -0.713558D+01
      2   0.426398D+01 -0.199469D+01 -0.265078D+01  0.834711D+01  0.907787D+01
      3   0.670686D+01  0.321605D+01  0.146385D+00 -0.585134D+00 -0.194230D+01
      4  -0.279550D+01 -0.934141D+01 -0.112860D+02  0.631224D+01  0.782856D+00
      5  -0.241224D+01 -0.104297D+02  0.807088D+01  0.129181D+01 -0.111070D+01
      6  -0.208976D+01 -0.539088D+01 -0.604230D+00  0.458466D+01  0.512211D+01
                21            22            23            24            25 
      1  -0.124223D-01 -0.388101D+01  0.315437D+01 -0.402938D+01  0.453517D+01
      2   0.323552D+00  0.389949D+01  0.779090D+00 -0.490083D+01  0.694972D-01
      3  -0.311130D+00 -0.184848D-01 -0.393346D+01  0.893021D+01 -0.460467D+01
      4   0.889066D+00 -0.379028D+01  0.103219D+02  0.145917D+01 -0.436027D+00
      5  -0.131785D+01 -0.163739D+01  0.302645D+01  0.506289D+01  0.228966D+01
      6   0.396420D+01  0.130669D+01  0.434815D+00 -0.744545D+01 -0.464490D+00
                26            27            28            29            30 
      1  -0.708311D+01  0.795023D+01 -0.569773D+01  0.284041D+01 -0.801029D+00
      2   0.821985D-01  0.135822D+02  0.201498D+01 -0.300889D+01  0.738044D+01
      3   0.700091D+01 -0.215325D+02  0.368274D+01  0.168484D+00 -0.657941D+01
      4   0.339731D+01 -0.250591D+01  0.383908D+01  0.303855D+01  0.198500D+01
      5  -0.720428D+00 -0.121285D+01 -0.748919D+01  0.430525D+01 -0.204038D+01
      6   0.284376D+01  0.663492D+01 -0.150695D+01 -0.302158D+01  0.166702D+01
                31            32            33            34            35 
      1   0.764390D+01  0.190161D+02  0.138364D+01 -0.120148D+02  0.679989D+01
      2  -0.850967D+01 -0.357836D+02 -0.186941D+01  0.982071D+01 -0.230380D+01
      3   0.865762D+00  0.167675D+02  0.485774D+00  0.219414D+01 -0.449610D+01
      4  -0.158471D+02 -0.193182D+02  0.343173D+01  0.443603D+01 -0.346342D+00
      5   0.691847D+01  0.610211D+01 -0.297691D+00  0.781192D-02  0.215174D+01
      6   0.706566D+00  0.270997D+01 -0.110112D+02 -0.736159D+00  0.855654D+00
                36            37            38            39            40 
      1  -0.131340D+01  0.359480D+02 -0.231062D+01  0.773265D+01  0.269324D+01
      2  -0.180685D+01 -0.237438D+02  0.191994D+01 -0.995199D+01 -0.177774D+01
      3   0.312025D+01 -0.122042D+02  0.390681D+00  0.221933D+01 -0.915501D+00
      4   0.154757D+01 -0.280596D+01  0.807209D+01 -0.149009D+00  0.132767D+02
      5  -0.863774D+01  0.146391D+02 -0.173663D+01  0.143449D+02  0.256651D+01
      6  -0.121803D+01  0.468332D+00  0.138813D+01 -0.241857D+01  0.326429D+00
                41            42            43            44            45 
      1   0.655962D+01  0.465467D+01  0.113311D+02 -0.897170D+00  0.338618D+01
      2  -0.255475D+01 -0.389366D+01 -0.114382D+02  0.130746D+01 -0.155758D+02
      3  -0.400488D+01 -0.761014D+00  0.107171D+00 -0.410294D+00  0.121896D+02
      4   0.115617D+02  0.591538D+01 -0.295102D+01  0.384821D+01 -0.108071D+01
      5   0.624802D+01  0.306968D+01  0.162515D+02 -0.225597D+01  0.180621D+02
      6  -0.231666D+01  0.495854D+01  0.186831D+00  0.485974D+01 -0.134164D+00
                46            47            48            49            50 
      1  -0.394237D+02  0.565693D+01  0.175749D+02 -0.232116D+01  0.162427D+02
      2   0.211242D+02 -0.102837D+02 -0.100745D+02 -0.545575D+01 -0.965401D+01
      3   0.182995D+02  0.462675D+01 -0.750040D+01  0.777691D+01 -0.658867D+01
      4   0.560321D+01  0.122785D+02 -0.215393D+01  0.129749D+02 -0.303331D+01
      5   0.132323D+02  0.497337D+00 -0.606782D+00  0.773653D+00  0.982360D+01
      6  -0.498428D+01  0.523130D-01  0.334707D+00  0.890646D+00 -0.466693D+01
                51            52            53            54            55 
      1   0.309192D+01  0.218801D+02  0.152615D+01  0.409716D+01  0.109168D+02
      2  -0.904169D+01 -0.101785D+02 -0.872618D+01  0.673827D+01 -0.572371D+01
      3   0.594977D+01 -0.117016D+02  0.720003D+01 -0.108354D+02 -0.519309D+01
      4   0.610604D+01 -0.233225D+01  0.445102D+01  0.101656D+02 -0.303678D+01
      5   0.927287D+01 -0.406738D+01  0.111593D+02 -0.268297D+02  0.574683D+01
      6  -0.391628D+01  0.186975D+01 -0.398353D+01  0.126439D+02 -0.892645D+01
                56            57            58            59            60 
      1   0.133678D+02  0.273679D+01  0.892147D+01  0.469653D+01  0.296408D+01
      2  -0.223102D+02 -0.627830D+01 -0.157309D+02 -0.304593D+00 -0.395453D+01
      3   0.894246D+01  0.354151D+01  0.680938D+01 -0.439194D+01  0.990452D+00
      4   0.176714D+01 -0.532016D+01  0.538803D+01 -0.172731D+02  0.242126D+01
      5  -0.372853D+01 -0.154720D+01 -0.238827D+01 -0.207722D+01 -0.344340D+00
      6  -0.300359D+01  0.589964D+01 -0.110286D+01 -0.717569D+01  0.329271D+01
                61            62            63            64            65 
      1  -0.633119D+00  0.386048D+01 -0.345416D+01  0.327871D+01  0.653168D+01
      2  -0.285232D+01 -0.622856D+01 -0.991895D+00  0.453648D+01 -0.265990D+01
      3   0.348544D+01  0.236808D+01  0.444605D+01 -0.781520D+01 -0.387178D+01
      4  -0.741265D+01  0.633035D+01  0.101132D+02  0.631619D+01  0.153511D+02
      5  -0.680869D+01  0.544483D+01  0.971758D+01 -0.129111D+01 -0.241865D+01
      6   0.118845D+02 -0.446846D+01 -0.792777D+01 -0.909724D+00 -0.138082D+01
                66            67            68            69            70 
      1   0.301186D+00  0.273596D+01 -0.355697D+02  0.199510D+01  0.708524D+00
      2  -0.135676D+01  0.279457D+01  0.660470D+02 -0.172053D+01 -0.209397D+01
      3   0.105558D+01 -0.553053D+01 -0.304773D+02 -0.274577D+00  0.138545D+01
      4  -0.203706D+01  0.224855D+02  0.335845D+02 -0.355559D+01 -0.221945D+01
      5   0.429888D+01 -0.188836D+01 -0.716868D+01  0.692873D+01  0.453337D+01
      6   0.993624D+00 -0.203948D+01 -0.374672D+01  0.180732D+02  0.186549D+01
                71            72            73            74            75 
      1  -0.455140D+00 -0.743083D+01  0.565124D+00  0.387599D+00 -0.670492D+00
      2  -0.125363D+01  0.618033D+01 -0.508309D+01  0.192517D+00 -0.981716D+00
      3   0.170877D+01  0.125050D+01  0.451796D+01 -0.580116D+00  0.165221D+01
      4  -0.211121D+01  0.646435D+01  0.550176D-01  0.126871D+01 -0.814868D+00
      5   0.720835D+01 -0.239822D+01  0.996787D+00 -0.172254D+01  0.644578D+01
      6   0.153234D+02 -0.225269D+01 -0.213948D+01  0.315638D-02 -0.108856D+00
                76            77            78            79            80 
      1   0.333312D+00 -0.414324D+01  0.479703D+01 -0.426040D+00  0.342485D+01
      2   0.893219D+00 -0.165168D+01  0.432300D+01 -0.196422D+01  0.511733D+01
      3  -0.122653D+01  0.579492D+01 -0.912003D+01  0.239026D+01 -0.854218D+01
      4   0.197507D+01  0.805391D+00 -0.140968D+00 -0.175479D+00 -0.200791D+01
      5  -0.109730D+01  0.272191D+00 -0.199348D+00  0.494661D+01  0.530157D-01
      6   0.939055D+00 -0.453206D+01  0.851169D+01 -0.118023D+01  0.635687D+01
                81            82            83            84            85 
      1  -0.185852D+02  0.103074D+02  0.532295D+01  0.522476D+01  0.448927D+01
      2  -0.190856D+02 -0.256393D+01 -0.476526D+00 -0.204664D+01  0.161225D+01
      3   0.376707D+02 -0.774345D+01 -0.484642D+01 -0.317812D+01 -0.610151D+01
      4   0.834694D+00  0.127643D+02  0.144977D+02  0.610050D+01  0.151367D+02
      5   0.161949D-01  0.867082D+01  0.531662D+01  0.797512D+01  0.548470D+01
      6  -0.597548D+01  0.449169D+01  0.396201D+01  0.372813D+01  0.467026D+01
                86            87            88            89            90 
      1  -0.499458D+00  0.177506D+00  0.448200D+01 -0.105882D+01 -0.446592D+00
      2   0.108821D+02  0.362868D+01 -0.244082D+01  0.196403D+01 -0.126690D+01
      3  -0.103826D+02 -0.380618D+01 -0.204118D+01 -0.905209D+00  0.171350D+01
      4   0.217872D+02  0.931992D+01  0.572081D+01  0.927365D+01  0.920761D+01
      5   0.873251D+01  0.792032D+01  0.863727D+01  0.839116D+01  0.865570D+01
      6   0.106510D+02  0.852731D+01  0.423159D+01  0.947076D+01  0.803365D+01
                91            92            93            94            95 
      1   0.339959D+01 -0.359778D+01  0.151120D+00 -0.115371D+02 -0.334954D+01
      2  -0.600394D+00  0.108936D+01  0.160221D+01  0.705853D+01  0.319310D+01
      3  -0.279919D+01  0.250842D+01 -0.175333D+01  0.447862D+01  0.156437D+00
      4  -0.552558D+01  0.130196D+01 -0.216215D+01  0.155518D+01 -0.173187D+02
      5  -0.254156D+00 -0.218183D+01  0.282180D-01 -0.794536D+01 -0.973841D+00
      6  -0.867096D+00  0.193766D+01 -0.992910D+00  0.368196D+01 -0.185671D+01
                96            97            98            99           100 
      1  -0.549776D+01 -0.252603D+01 -0.111589D+01 -0.158660D+01 -0.543308D+01
      2   0.622428D+01  0.179692D+01  0.568147D+00  0.148694D+01  0.926612D+01
      3  -0.726528D+00  0.729115D+00  0.547744D+00  0.996650D-01 -0.383305D+01
      4   0.429194D+00 -0.322545D+01 -0.427642D-01 -0.325215D+01  0.802292D+01
      5  -0.855616D+01  0.818552D+00 -0.320528D+01  0.124519D+01  0.334562D+01
      6   0.324229D+01 -0.136840D+00  0.294672D+01 -0.316719D+01  0.256238D+01
               101           102           103           104           105 
      1  -0.131379D+02 -0.255680D+01 -0.832873D+01 -0.227315D+02 -0.483320D+01
      2   0.200202D+02  0.211183D+01  0.118092D+02  0.344613D+02  0.452132D+01
      3  -0.688226D+01  0.444964D+00 -0.348046D+01 -0.117298D+02  0.311889D+00
      4   0.808086D+01  0.336465D+00  0.737713D+01  0.569276D+01 -0.621480D-01
      5   0.252178D+01  0.854282D+00  0.285602D+01  0.198672D+01 -0.749751D+00
      6   0.822006D+01  0.376816D+01  0.390810D+01  0.134557D+02  0.748130D+01
               106           107           108           109           110 
      1   0.101052D+01 -0.196099D+01 -0.205022D+01  0.432333D+01  0.786579D+00
      2  -0.551442D+00  0.147284D+01  0.197113D+01 -0.455303D+01 -0.147219D+01
      3  -0.459081D+00  0.488155D+00  0.790909D-01  0.229701D+00  0.685609D+00
      4   0.820509D-01 -0.351508D+00  0.412269D+00 -0.132946D+02  0.881460D+01
      5   0.234989D+01  0.192611D+00  0.643019D+00 -0.142151D+02  0.737509D+01
      6   0.741999D-01  0.601988D+01  0.225698D+01  0.115409D+02 -0.853658D+01
               111           112           113           114           115 
      1  -0.364112D+00  0.129218D+01 -0.420117D+01 -0.321626D+01  0.860398D+00
      2   0.415926D+01 -0.226435D+01  0.485185D+01  0.323685D+01  0.437808D+01
      3  -0.379515D+01  0.972167D+00 -0.650679D+00 -0.205971D-01 -0.523848D+01
      4   0.967329D+01  0.614014D+01 -0.564686D+01 -0.466292D+01  0.109045D+02
      5   0.136158D+02  0.282151D+01 -0.479054D+01 -0.327231D+01  0.148323D+02
      6  -0.131032D+02 -0.531683D+01  0.790549D+01  0.851178D+01 -0.133589D+02
               116           117           118           119           120 
      1  -0.523577D+01 -0.464427D+01  0.687706D+02 -0.648454D+01 -0.109347D+02
      2   0.268720D+01 -0.452871D+01 -0.340873D+02  0.149204D+01  0.548821D+01
      3   0.254856D+01  0.917298D+01 -0.346833D+02  0.499250D+01  0.544652D+01
      4  -0.743283D+01 -0.115164D+02 -0.176875D+02  0.106232D+02  0.219472D+01
      5  -0.786751D+01 -0.154874D+02 -0.623302D+01 -0.469039D-01  0.105922D+02
      6   0.129761D+02  0.176145D+02  0.305394D+01  0.944843D-02 -0.323402D+01
               121           122           123           124           125 
      1   0.396715D+01  0.462082D+01 -0.852730D+00 -0.177441D+02  0.193651D+01
      2  -0.364739D+01 -0.697026D+00  0.161004D+01  0.922969D+01  0.606536D+00
      3  -0.319755D+00 -0.392380D+01 -0.757314D+00  0.851437D+01 -0.254305D+01
      4   0.789451D+01 -0.121855D+01 -0.286079D+01  0.548749D+01 -0.433479D+01
      5  -0.296095D-02 -0.248754D+01  0.491301D+00  0.109078D+02 -0.189820D+01
      6  -0.423376D+00  0.921043D+00  0.128684D+01 -0.270103D+01  0.169425D+01
               126           127           128           129           130 
      1   0.795875D+01 -0.134643D+01 -0.566502D+01 -0.397383D+01 -0.757822D+01
      2  -0.595158D+01  0.291709D+01  0.696879D+01  0.286803D+01  0.635744D+01
      3  -0.200718D+01 -0.157066D+01 -0.130377D+01  0.110581D+01  0.122078D+01
      4  -0.278437D+01  0.142426D+01 -0.320738D+01  0.744405D+00  0.310332D+01
      5  -0.400918D+01 -0.279041D+01 -0.918022D+00 -0.205804D+01 -0.186092D+01
      6   0.553710D+00  0.180497D+01  0.797729D+00  0.222147D+01  0.899092D+00
               131           132           133           134           135 
      1  -0.153070D+02 -0.461869D+01 -0.609210D+01 -0.427061D+01 -0.536565D+01
      2   0.251006D+02  0.745585D+01  0.322149D+01  0.765694D+01  0.353129D+01
      3  -0.979358D+01 -0.283716D+01  0.287061D+01 -0.338633D+01  0.183435D+01
      4  -0.149857D+02 -0.333040D+01  0.265874D+01 -0.644699D+01 -0.382262D+01
      5  -0.530381D+01 -0.639904D+01  0.300355D+00 -0.536043D+01 -0.154025D+01
      6   0.441520D+01  0.620736D+01  0.676304D+00  0.626340D+01  0.316214D+01
               136           137           138           139           140 
      1   0.568735D+01 -0.215769D+01  0.344790D+01 -0.113484D+00 -0.471903D+01
      2  -0.493264D+01  0.164976D+01 -0.239267D+01  0.375304D+00  0.309563D+01
      3  -0.754702D+00  0.507933D+00 -0.105522D+01 -0.261820D+00  0.162340D+01
      4  -0.298357D+01  0.140927D+01 -0.283409D+01  0.251227D+01 -0.483687D+01
      5   0.481467D+01 -0.232607D+01  0.799723D+01 -0.224533D+01  0.544243D+01
      6  -0.184753D+01  0.821807D+00 -0.154929D+01  0.184670D+01 -0.513078D+01
               141           142           143           144           145 
      1   0.237044D+01  0.554171D+01  0.216954D+01 -0.944700D+01  0.338955D+02
      2  -0.117885D+01 -0.536400D+01  0.705331D-01 -0.136468D+02 -0.234463D+02
      3  -0.119159D+01 -0.177712D+00 -0.224007D+01  0.230938D+02 -0.104492D+02
      4   0.588213D+01 -0.643721D+01  0.884787D+01 -0.965128D+01  0.156507D+02
      5  -0.673191D+01  0.132456D+02 -0.113401D+02  0.371060D+02 -0.344260D+02
      6   0.968175D+01 -0.384375D+01  0.104830D+02 -0.192236D+02 -0.724715D+01
               146           147           148           149           150 
      1   0.319768D+01 -0.100391D+02  0.249296D+01  0.117991D+01 -0.386686D+00
      2  -0.157453D+01  0.132396D+02 -0.826505D+00 -0.192924D+00 -0.788148D+00
      3  -0.162316D+01 -0.320058D+01 -0.166645D+01 -0.986984D+00  0.117483D+01
      4   0.905425D+01 -0.797036D+01  0.809377D+01  0.421722D+01 -0.451916D+01
      5  -0.599006D+01  0.232574D+02 -0.357201D+01 -0.462158D+01  0.199034D+01
      6  -0.512551D+01  0.629018D+01 -0.369996D+01 -0.328377D+01  0.490588D+01
               151           152           153           154           155 
      1  -0.581482D+01 -0.643593D+00  0.417077D+01 -0.418636D+01  0.841041D+01
      2   0.909243D+01  0.347209D+00 -0.962840D+01  0.363744D+01 -0.822075D+01
      3  -0.327762D+01  0.296384D+00  0.545763D+01  0.548919D+00 -0.189654D+00
      4  -0.497028D+01 -0.304336D+01  0.412773D+01 -0.106350D+01  0.112689D+01
      5   0.173281D+02  0.278007D+01 -0.144339D+02  0.121411D+01 -0.300102D+01
      6   0.443350D+01  0.397287D+01 -0.376779D+01 -0.501513D+01  0.850772D+01
               156           157           158           159           160 
      1  -0.679453D+01  0.789610D+01 -0.206412D+02  0.868807D+01 -0.376306D+01
      2   0.166248D+01 -0.801104D+01  0.227060D+02 -0.420221D+01  0.954248D+00
      3   0.513205D+01  0.114938D+00 -0.206476D+01 -0.448586D+01  0.280881D+01
      4  -0.421123D+00  0.234436D+01  0.644660D+01 -0.406053D+01 -0.797087D+00
      5   0.173812D+01 -0.456947D+01  0.420003D+00  0.241451D+01  0.291681D+01
      6  -0.510568D+01  0.582256D+01 -0.201603D+02  0.130445D+02 -0.350052D+01
               161           162           163           164           165 
      1   0.606696D+01 -0.711239D+01 -0.168090D+01 -0.125873D+01 -0.705741D+01
      2  -0.265843D+01  0.212923D+01 -0.217334D+01 -0.217552D+01 -0.183318D+01
      3  -0.340853D+01  0.498316D+01  0.385424D+01  0.343426D+01  0.889059D+01
      4  -0.152810D+01  0.302118D+00  0.157145D+00 -0.851060D+00 -0.145064D+01
      5  -0.121530D+00  0.656818D+00  0.950238D+00  0.176757D+01  0.291735D+01
      6   0.103070D+02 -0.667990D+01  0.199492D+01  0.488863D+01  0.199997D+01
               166           167           168           169           170 
      1  -0.269578D+01 -0.790690D+01 -0.827458D+01 -0.477854D+01 -0.495345D+01
      2  -0.651856D+00  0.135149D+00 -0.605088D+01 -0.759007D+00 -0.458949D+01
      3   0.334764D+01  0.777175D+01  0.143255D+02  0.553754D+01  0.954295D+01
      4  -0.748306D+00 -0.554219D+01 -0.373323D+01 -0.163217D+01 -0.324530D+01
      5   0.353999D+01  0.697974D-01 -0.435050D+01  0.437545D+01 -0.332956D+00
      6   0.394372D+01  0.101305D+02  0.813525D+01  0.228999D+01  0.790877D+01
               171 
      1  -0.100808D+02
      2  -0.776123D+01
      3   0.178420D+02
      4  -0.282264D+01
      5  -0.241582D+01
      6   0.646412D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:49:29 2021, MaxMem=  5368709120 cpu:            5696.7 elap:             713.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17916 -19.12550 -14.35504 -10.31466 -10.24407
 Alpha  occ. eigenvalues --  -10.21406 -10.18698 -10.18002  -1.09309  -1.01166
 Alpha  occ. eigenvalues --   -0.91851  -0.80788  -0.70598  -0.69040  -0.60896
 Alpha  occ. eigenvalues --   -0.59730  -0.52844  -0.51612  -0.50254  -0.47772
 Alpha  occ. eigenvalues --   -0.44633  -0.44095  -0.42669  -0.40921  -0.39413
 Alpha  occ. eigenvalues --   -0.38157  -0.35891  -0.35371  -0.35051  -0.32043
 Alpha  occ. eigenvalues --   -0.30392  -0.26924
 Alpha virt. eigenvalues --   -0.00734  -0.00107   0.02751   0.03524   0.03824
 Alpha virt. eigenvalues --    0.06383   0.07224   0.07660   0.08121   0.09433
 Alpha virt. eigenvalues --    0.10991   0.11667   0.12118   0.12403   0.12767
 Alpha virt. eigenvalues --    0.13723   0.14864   0.14936   0.16004   0.17145
 Alpha virt. eigenvalues --    0.17818   0.18437   0.18926   0.19976   0.20122
 Alpha virt. eigenvalues --    0.21644   0.21794   0.22754   0.23409   0.25143
 Alpha virt. eigenvalues --    0.26053   0.26973   0.27866   0.28412   0.28755
 Alpha virt. eigenvalues --    0.29254   0.30574   0.30839   0.31820   0.32440
 Alpha virt. eigenvalues --    0.32862   0.33214   0.34321   0.34485   0.34914
 Alpha virt. eigenvalues --    0.35608   0.36687   0.37409   0.37613   0.38249
 Alpha virt. eigenvalues --    0.38489   0.38813   0.39426   0.40591   0.41154
 Alpha virt. eigenvalues --    0.41266   0.42962   0.43689   0.44327   0.45477
 Alpha virt. eigenvalues --    0.45924   0.46753   0.47347   0.48154   0.48400
 Alpha virt. eigenvalues --    0.49193   0.49780   0.50185   0.50769   0.51802
 Alpha virt. eigenvalues --    0.51998   0.52660   0.52867   0.53948   0.54521
 Alpha virt. eigenvalues --    0.55957   0.56126   0.56471   0.57619   0.58425
 Alpha virt. eigenvalues --    0.59161   0.59587   0.60643   0.61552   0.62769
 Alpha virt. eigenvalues --    0.63122   0.64354   0.65675   0.66449   0.67293
 Alpha virt. eigenvalues --    0.68499   0.69120   0.70701   0.70900   0.73441
 Alpha virt. eigenvalues --    0.74151   0.76077   0.77081   0.78125   0.78668
 Alpha virt. eigenvalues --    0.80498   0.82154   0.82720   0.84366   0.86675
 Alpha virt. eigenvalues --    0.89551   0.90349   0.91890   0.92958   0.93514
 Alpha virt. eigenvalues --    0.97708   0.99331   1.01206   1.01974   1.02320
 Alpha virt. eigenvalues --    1.03382   1.04435   1.05459   1.08122   1.08556
 Alpha virt. eigenvalues --    1.10613   1.13173   1.13959   1.16068   1.17898
 Alpha virt. eigenvalues --    1.19475   1.21703   1.23540   1.24421   1.29109
 Alpha virt. eigenvalues --    1.31194   1.35038   1.36448   1.39107   1.39992
 Alpha virt. eigenvalues --    1.42462   1.44680   1.46344   1.49847   1.53329
 Alpha virt. eigenvalues --    1.58128   1.59870   1.61186   1.64434   1.65854
 Alpha virt. eigenvalues --    1.67820   1.70476   1.71648   1.73166   1.74308
 Alpha virt. eigenvalues --    1.76509   1.78013   1.78581   1.80620   1.82015
 Alpha virt. eigenvalues --    1.82681   1.84901   1.86467   1.88273   1.90465
 Alpha virt. eigenvalues --    1.92460   1.95069   1.95441   1.97725   1.97978
 Alpha virt. eigenvalues --    2.02544   2.03826   2.05071   2.05877   2.07747
 Alpha virt. eigenvalues --    2.08509   2.09514   2.12441   2.13588   2.14605
 Alpha virt. eigenvalues --    2.15668   2.18306   2.21944   2.25120   2.27613
 Alpha virt. eigenvalues --    2.28370   2.31719   2.32535   2.35701   2.36931
 Alpha virt. eigenvalues --    2.39060   2.41574   2.42785   2.45812   2.49340
 Alpha virt. eigenvalues --    2.52847   2.55027   2.58241   2.60319   2.64465
 Alpha virt. eigenvalues --    2.65305   2.67288   2.69462   2.76212   2.82987
 Alpha virt. eigenvalues --    2.86885   2.91394   2.92623   2.97460   2.99354
 Alpha virt. eigenvalues --    2.99899   3.02162   3.07753   3.10296   3.11469
 Alpha virt. eigenvalues --    3.13611   3.17046   3.18636   3.21433   3.23872
 Alpha virt. eigenvalues --    3.29268   3.39723   3.46767   3.58138   3.64066
 Alpha virt. eigenvalues --    3.83303   3.96327
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.125244   0.314749   0.054009  -0.092986  -0.000385  -0.039327
     2  C    0.314749   6.055250   0.104216   0.097822  -0.005693   0.267089
     3  C    0.054009   0.104216   6.083036  -0.767226   0.099049   0.023206
     4  C   -0.092986   0.097822  -0.767226   6.501957  -0.253990  -0.094142
     5  O   -0.000385  -0.005693   0.099049  -0.253990   8.290860   0.015908
     6  C   -0.039327   0.267089   0.023206  -0.094142   0.015908   4.286028
     7  N   -0.028195  -0.060687  -0.301413   0.146330  -0.089561   0.026170
     8  O    0.018657  -0.059036   0.177119  -0.198250   0.118701  -0.004973
     9  H    0.043122  -0.041571   0.035770  -0.015046  -0.003044  -0.076909
    10  H   -0.059114   0.247384  -0.166749   0.069771  -0.005394  -0.114806
    11  H    0.007444  -0.049885  -0.079132   0.171821   0.158958  -0.000766
    12  H   -0.002911  -0.018708   0.088646  -0.039845   0.015998   0.002407
    13  H    0.000339   0.030213   0.181734   0.002194   0.005252  -0.002435
    14  H   -0.007851   0.167864   0.034181   0.003390  -0.001755   0.068828
    15  H   -0.020780   0.290851  -0.099214   0.072691  -0.008357   0.000655
    16  H    0.005368   0.032137  -0.047557  -0.031946   0.001944   0.365764
    17  H    0.073599   0.180067   0.042904  -0.012054   0.007190   0.015454
    18  H    0.308255   0.052568  -0.036331  -0.036087  -0.010050   0.000842
    19  H    0.088561   0.169655  -0.097018   0.114040  -0.009695  -0.038643
               7          8          9         10         11         12
     1  C   -0.028195   0.018657   0.043122  -0.059114   0.007444  -0.002911
     2  C   -0.060687  -0.059036  -0.041571   0.247384  -0.049885  -0.018708
     3  C   -0.301413   0.177119   0.035770  -0.166749  -0.079132   0.088646
     4  C    0.146330  -0.198250  -0.015046   0.069771   0.171821  -0.039845
     5  O   -0.089561   0.118701  -0.003044  -0.005394   0.158958   0.015998
     6  C    0.026170  -0.004973  -0.076909  -0.114806  -0.000766   0.002407
     7  N    7.708021  -0.026476  -0.170401  -0.023634  -0.020897  -0.069140
     8  O   -0.026476   8.493089   0.001403  -0.002834  -0.027860   0.003470
     9  H   -0.170401   0.001403   1.536812   0.030854   0.027704   0.098667
    10  H   -0.023634  -0.002834   0.030854   1.488723   0.005271  -0.031841
    11  H   -0.020897  -0.027860   0.027704   0.005271   0.550401   0.002523
    12  H   -0.069140   0.003470   0.098667  -0.031841   0.002523   0.999467
    13  H   -0.001625   0.000989  -0.098072   0.007529  -0.026940  -0.123083
    14  H   -0.001274   0.003407   0.008748   0.041904   0.000321  -0.000347
    15  H    0.003518  -0.008776  -0.006316   0.007304  -0.000822  -0.000177
    16  H    0.000030  -0.005162   0.017489  -0.044864   0.000501   0.000864
    17  H    0.007719   0.002155  -0.004231  -0.017906  -0.000643   0.001320
    18  H   -0.035230   0.004645   0.004755  -0.007586  -0.001189   0.013852
    19  H    0.004172  -0.030034   0.000507   0.025583   0.002354  -0.004354
              13         14         15         16         17         18
     1  C    0.000339  -0.007851  -0.020780   0.005368   0.073599   0.308255
     2  C    0.030213   0.167864   0.290851   0.032137   0.180067   0.052568
     3  C    0.181734   0.034181  -0.099214  -0.047557   0.042904  -0.036331
     4  C    0.002194   0.003390   0.072691  -0.031946  -0.012054  -0.036087
     5  O    0.005252  -0.001755  -0.008357   0.001944   0.007190  -0.010050
     6  C   -0.002435   0.068828   0.000655   0.365764   0.015454   0.000842
     7  N   -0.001625  -0.001274   0.003518   0.000030   0.007719  -0.035230
     8  O    0.000989   0.003407  -0.008776  -0.005162   0.002155   0.004645
     9  H   -0.098072   0.008748  -0.006316   0.017489  -0.004231   0.004755
    10  H    0.007529   0.041904   0.007304  -0.044864  -0.017906  -0.007586
    11  H   -0.026940   0.000321  -0.000822   0.000501  -0.000643  -0.001189
    12  H   -0.123083  -0.000347  -0.000177   0.000864   0.001320   0.013852
    13  H    1.032502  -0.000171  -0.000101  -0.000853  -0.000248   0.005219
    14  H   -0.000171   0.877652  -0.022557  -0.081928   0.020474   0.003959
    15  H   -0.000101  -0.022557   0.931670  -0.095864  -0.031119  -0.002648
    16  H   -0.000853  -0.081928  -0.095864   0.931572   0.009151  -0.004921
    17  H   -0.000248   0.020474  -0.031119   0.009151   1.036230  -0.143223
    18  H    0.005219   0.003959  -0.002648  -0.004921  -0.143223   1.022016
    19  H    0.000097  -0.023732   0.044711  -0.001735  -0.051775  -0.038225
              19
     1  C    0.088561
     2  C    0.169655
     3  C   -0.097018
     4  C    0.114040
     5  O   -0.009695
     6  C   -0.038643
     7  N    0.004172
     8  O   -0.030034
     9  H    0.000507
    10  H    0.025583
    11  H    0.002354
    12  H   -0.004354
    13  H    0.000097
    14  H   -0.023732
    15  H    0.044711
    16  H   -0.001735
    17  H   -0.051775
    18  H   -0.038225
    19  H    0.822014
 Mulliken charges:
               1
     1  C    1.212202
     2  C   -1.774287
     3  C    0.670769
     4  C    0.361555
     5  O   -0.325936
     6  C    1.299651
     7  N   -0.067427
     8  O   -0.460235
     9  H   -0.390242
    10  H   -0.449594
    11  H    0.280835
    12  H    0.063192
    13  H   -0.012539
    14  H   -0.091114
    15  H   -0.054670
    16  H   -0.049991
    17  H   -0.135064
    18  H   -0.100620
    19  H    0.023515
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.000033
     2  C   -2.223881
     3  C    0.280527
     4  C    0.361555
     5  O   -0.045101
     6  C    1.103877
     7  N   -0.016774
     8  O   -0.460235
 Electronic spatial extent (au):  <R**2>=            987.1179
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.9782    Y=             -4.5388    Z=             -1.8407  Tot=              5.2823
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.0619   YY=            -53.4996   ZZ=            -48.4004
   XY=             -4.5537   XZ=             -3.2741   YZ=              2.2319
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.7413   YY=             -2.1789   ZZ=              2.9203
   XY=             -4.5537   XZ=             -3.2741   YZ=              2.2319
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              4.2834  YYY=            -21.8686  ZZZ=             -5.9604  XYY=             -1.6955
  XXY=             -8.0619  XXZ=             -5.6386  XZZ=              5.3537  YZZ=             -3.5171
  YYZ=             -3.3789  XYZ=              0.9389
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -637.4874 YYYY=           -413.1448 ZZZZ=           -248.9533 XXXY=             -9.7146
 XXXZ=            -14.5333 YYYX=            -11.2608 YYYZ=             19.3258 ZZZX=             -2.9088
 ZZZY=              7.5908 XXYY=           -176.8048 XXZZ=           -145.3316 YYZZ=           -103.7114
 XXYZ=              1.5005 YYXZ=             -1.4230 ZZXY=             -7.4159
 N-N= 4.132313650954D+02 E-N=-1.763172639828D+03  KE= 3.979972636335D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:49:29 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-7.42875624D-01-1.76742091D+00-7.18479099D-01
 Polarizability= 7.60944835D+01-2.69602986D+00 7.76509700D+01
                 1.43288919D+00-1.41107153D+00 6.81616490D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.9883   -0.9895       -1.2909   -1.2908
 2      0.9883    0.9895        0.6389    0.6389        0.9918    0.9931
 3      1.2909    1.2908        4.0183    4.0173       -0.6387   -0.6389
 4     -0.6389   -0.6389       -0.0000    0.0000        1.2912    1.2908
 5     -5.0101   -5.0104       -1.2912   -1.2908       -0.9883   -0.9895
 6      0.6387    0.6389        0.9883    0.9895       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.9685    2.9685       -3.8723   -3.8723
 2     -1.9166   -1.9166        0.0000    0.0000       -3.8723   -3.8723
 3     -1.9166   -1.9166        2.9685    2.9685       -0.0000    0.0000
 4      2.9685    2.9685        1.9166    1.9166        2.9794    2.9794
 5      3.8723    3.8723       12.0519   12.0519       -1.9166   -1.9166
 6    -15.0313  -15.0313       -3.8723   -3.8723       -2.9685   -2.9685
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0389    0.0000        3.9937    3.9579        5.0824    5.1631
 2     -3.9418   -3.9579       -2.4862   -2.5554       -3.9364   -3.9726
 3     -5.1398   -5.1631      -16.1442  -16.0692        2.5985    2.5554
 4      2.5595    2.5554        0.0026    0.0000       -5.1735   -5.1631
 5     20.0191   20.0418        5.1511    5.1631        3.9529    3.9579
 6     -2.5402   -2.5554       -3.9594   -3.9579       -0.0003    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0096    0.0000       -2.7034   -2.7143      -13.5205  -13.5809
 2      2.7205    2.7143      -14.9152  -14.8916       -9.0992   -9.2305
 3     13.5812   13.5809        3.6697    3.7329       14.7979   14.8916
 4     14.9002   14.8916        0.0128    0.0000       13.5684   13.5809
 5      5.5311    5.4975      -13.5626  -13.5809       -2.7040   -2.7143
 6    -14.9084  -14.8916        2.6994    2.7143       -0.0626    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      7.7484    7.7009      -10.1394  -10.1933       28.9295   29.0422
 2     26.6693   26.6155      -15.3984  -15.4757       29.0298   29.0422
 3     26.6743   26.6155      -10.0954  -10.1933       38.3012   38.3573
 4      5.2599    5.2824      -18.9274  -18.9146       -7.0983   -7.1743
 5      9.3631    9.3151        9.5799    9.6413       18.8252   18.9146
 6     -2.4211   -2.4669       -9.2007   -9.3151       -5.3184   -5.2824
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.4651   -2.9788    0.0009    0.0011    0.0012   13.4907
 Low frequencies ---   65.1584  100.3754  185.6660
 Diagonal vibrational polarizability:
       18.3332205      12.2401217      17.5770428
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     65.1563               100.3671               185.6656
 Red. masses --      4.0782                 3.1778                 4.3754
 Frc consts  --      0.0102                 0.0189                 0.0889
 IR Inten    --      1.4837                 1.1040                 4.3311
 RamAct Fr= 1--      0.9132                 0.5313                 0.7822
  Dep-P Fr= 1--      0.7493                 0.7491                 0.5101
  Dep-U Fr= 1--      0.8567                 0.8566                 0.6756
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0037
 Beta2  Fr= 1--      0.1304                 0.0758                 0.0881
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0012
 Gamma2 Fr= 1--     -0.3016                 0.2629                 0.1337
 Delta2 Fr= 1--     -0.2538                 0.1911                 0.0766
 Raman1 Fr= 1--       3.653                  2.125                  3.129
 ROA1   Fr= 1--     -37.077                 31.353                 15.291
 CID1   Fr= 1--     -10.150                 14.754                  4.887
 Raman2 Fr= 1--       1.565                  0.910                  1.057
 ROA2   Fr= 1--      -5.208                  4.781                  2.596
 CID2   Fr= 1--      -3.328                  5.253                  2.456
 Raman3 Fr= 1--       3.129                  1.820                  2.114
 ROA3   Fr= 1--     -37.077                 31.353                 15.291
 CID3   Fr= 1--     -11.848                 17.224                  7.233
 RC180  Fr= 1--       0.713                  0.713                  0.351
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.22   0.06    -0.14  -0.12  -0.08    -0.21  -0.08   0.01
     2   6    -0.00   0.00   0.01    -0.03   0.02  -0.05    -0.07  -0.03   0.03
     3   6     0.00   0.00   0.01     0.01  -0.04   0.05    -0.04   0.09   0.10
     4   6     0.01  -0.03   0.06     0.01   0.01  -0.00     0.10   0.05   0.03
     5   8     0.16  -0.08  -0.14     0.18   0.07  -0.15     0.15  -0.02  -0.07
     6   6    -0.07  -0.08  -0.18     0.08   0.10   0.04    -0.20  -0.13  -0.03
     7   7    -0.00  -0.01  -0.05     0.00  -0.05   0.15    -0.03   0.09   0.03
     8   8    -0.12  -0.02   0.25    -0.12   0.01   0.04     0.27   0.05  -0.06
     9   1     0.02   0.03   0.02     0.07  -0.12   0.02    -0.05   0.12   0.11
    10   1     0.05  -0.10   0.13    -0.05   0.11  -0.16     0.06  -0.07  -0.04
    11   1     0.17  -0.07  -0.23     0.20   0.06  -0.14     0.03  -0.01  -0.00
    12   1    -0.01  -0.00   0.10    -0.01  -0.04   0.44    -0.02   0.08  -0.12
    13   1    -0.13  -0.04  -0.14    -0.17  -0.20   0.05     0.05   0.17   0.08
    14   1    -0.05  -0.06  -0.13     0.02   0.08  -0.13    -0.19  -0.20  -0.00
    15   1    -0.09   0.02  -0.35     0.05   0.01   0.23    -0.28  -0.05  -0.09
    16   1    -0.13  -0.28  -0.22     0.24   0.27   0.06    -0.25  -0.20  -0.05
    17   1     0.04   0.18   0.08    -0.17  -0.03  -0.13    -0.23  -0.30  -0.13
    18   1     0.11   0.30   0.19    -0.26  -0.21  -0.13    -0.06   0.01   0.05
    19   1    -0.05   0.35  -0.07    -0.06  -0.24   0.02    -0.44  -0.02   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    229.7088               253.1510               260.3132
 Red. masses --      1.0680                 1.2691                 1.4055
 Frc consts  --      0.0332                 0.0479                 0.0561
 IR Inten    --      0.2579                 4.1690                 6.3164
 RamAct Fr= 1--      0.0166                 0.1663                 0.1829
  Dep-P Fr= 1--      0.4479                 0.4313                 0.6115
  Dep-U Fr= 1--      0.6187                 0.6026                 0.7589
 Alpha2 Fr= 1--      0.0001                 0.0011                 0.0005
 Beta2  Fr= 1--      0.0017                 0.0167                 0.0231
 AlphaG Fr= 1--     -0.0014                -0.0040                -0.0011
 Gamma2 Fr= 1--      0.0063                -0.0980                -0.1424
 Delta2 Fr= 1--     -0.0014                -0.0264                -0.0166
 Raman1 Fr= 1--       0.067                  0.665                  0.732
 ROA1   Fr= 1--       0.564                -10.251                -14.203
 CID1   Fr= 1--       8.471                -15.411                -19.409
 Raman2 Fr= 1--       0.021                  0.200                  0.278
 ROA2   Fr= 1--       0.163                 -2.140                 -3.285
 CID2   Fr= 1--       7.907                -10.679                -11.830
 Raman3 Fr= 1--       0.041                  0.401                  0.555
 ROA3   Fr= 1--       0.564                -10.251                -14.203
 CID3   Fr= 1--      13.691                -25.573                -25.575
 RC180  Fr= 1--       0.237                  0.205                  0.518
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.04  -0.03     0.08   0.01  -0.05     0.09  -0.03  -0.05
     2   6    -0.00   0.01  -0.02     0.02   0.03  -0.04    -0.00   0.01  -0.04
     3   6     0.00  -0.00  -0.00     0.02   0.01  -0.03     0.00   0.03  -0.02
     4   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.01   0.03   0.01
     5   8    -0.01   0.01   0.00    -0.02  -0.02   0.02    -0.02  -0.02   0.01
     6   6     0.03   0.03   0.01    -0.06  -0.00   0.02    -0.08  -0.03  -0.02
     7   7    -0.01  -0.01   0.03    -0.04  -0.02   0.04    -0.03   0.01   0.06
     8   8    -0.01   0.01   0.01     0.02   0.01   0.01     0.05   0.03   0.03
     9   1     0.02  -0.02  -0.01     0.06  -0.03  -0.04     0.05  -0.01  -0.03
    10   1    -0.01   0.02  -0.03     0.03   0.02  -0.05     0.02  -0.00  -0.04
    11   1     0.01   0.01  -0.02    -0.01  -0.01  -0.05    -0.02  -0.01  -0.07
    12   1    -0.01  -0.00   0.13    -0.09   0.02   0.33    -0.06   0.03   0.40
    13   1    -0.07  -0.06  -0.01    -0.22  -0.19  -0.06    -0.24  -0.18  -0.07
    14   1     0.17   0.24   0.44    -0.12  -0.18  -0.18    -0.03  -0.05   0.13
    15   1     0.32   0.08  -0.39    -0.24  -0.04   0.27    -0.06   0.02  -0.14
    16   1    -0.39  -0.22  -0.02     0.12   0.18   0.05    -0.24  -0.12  -0.03
    17   1     0.01  -0.31  -0.08     0.12  -0.39  -0.07     0.10   0.35   0.10
    18   1     0.22   0.09  -0.03     0.43   0.22  -0.03    -0.24  -0.25  -0.16
    19   1    -0.23   0.06   0.02    -0.24   0.19  -0.04     0.48  -0.23  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.6595               338.2040               352.9728
 Red. masses --      1.5344                 3.8020                 2.4962
 Frc consts  --      0.0722                 0.2562                 0.1832
 IR Inten    --     13.4650                12.7816                 1.3585
 RamAct Fr= 1--      0.1978                 0.5489                 1.1476
  Dep-P Fr= 1--      0.7428                 0.3430                 0.6065
  Dep-U Fr= 1--      0.8524                 0.5108                 0.7551
 Alpha2 Fr= 1--      0.0000                 0.0049                 0.0030
 Beta2  Fr= 1--      0.0281                 0.0467                 0.1444
 AlphaG Fr= 1--      0.0014                 0.0007                -0.0010
 Gamma2 Fr= 1--      0.1196                 0.1973                -0.2597
 Delta2 Fr= 1--      0.1342                 0.2351                -0.0079
 Raman1 Fr= 1--       0.791                  2.196                  4.591
 ROA1   Fr= 1--      15.776                 26.460                -25.183
 CID1   Fr= 1--      19.941                 12.052                 -5.486
 Raman2 Fr= 1--       0.337                  0.561                  1.733
 ROA2   Fr= 1--       1.797                  2.854                 -6.170
 CID2   Fr= 1--       5.330                  5.089                 -3.560
 Raman3 Fr= 1--       0.674                  1.122                  3.466
 ROA3   Fr= 1--      15.776                 26.460                -25.183
 CID3   Fr= 1--      23.394                 23.592                 -7.266
 RC180  Fr= 1--       0.705                  0.022                  0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.06    -0.04   0.05   0.00    -0.08   0.14  -0.08
     2   6     0.01  -0.03   0.04    -0.03  -0.04  -0.02     0.01   0.03  -0.09
     3   6     0.01  -0.01   0.02    -0.04   0.01  -0.05     0.08  -0.03  -0.04
     4   6     0.01   0.01   0.00    -0.05   0.03  -0.07     0.04  -0.06   0.00
     5   8    -0.04   0.01   0.04    -0.16  -0.19  -0.15     0.06   0.02   0.06
     6   6     0.04  -0.01   0.00     0.02   0.01   0.06    -0.14   0.01   0.17
     7   7     0.08   0.02  -0.12     0.22   0.11   0.16     0.09  -0.04  -0.03
     8   8     0.02   0.01  -0.03     0.05   0.05   0.05    -0.04  -0.07  -0.03
     9   1    -0.05   0.02   0.04    -0.07  -0.15  -0.10     0.15  -0.02  -0.04
    10   1     0.02  -0.03   0.04    -0.06  -0.04   0.01     0.02   0.04  -0.11
    11   1     0.11   0.01  -0.17    -0.32  -0.17  -0.37     0.12   0.01   0.09
    12   1     0.10  -0.02   0.57     0.40  -0.06   0.25     0.11  -0.06  -0.05
    13   1    -0.45  -0.16  -0.51     0.30   0.15   0.21     0.10  -0.02  -0.02
    14   1     0.03   0.02  -0.03     0.03   0.03   0.08    -0.02  -0.18   0.43
    15   1     0.05  -0.02   0.01     0.08  -0.06   0.13    -0.12  -0.02   0.20
    16   1     0.09  -0.02  -0.00     0.01   0.11   0.08    -0.45   0.17   0.22
    17   1    -0.13   0.04  -0.03    -0.05   0.07  -0.02    -0.12   0.29  -0.14
    18   1    -0.13   0.01   0.14    -0.03   0.09   0.11    -0.18   0.12   0.08
    19   1    -0.12   0.02   0.07    -0.08   0.12  -0.06    -0.05   0.17  -0.16
                     10                     11                     12
                      A                      A                      A
 Frequencies --    431.8771               468.6452               542.9599
 Red. masses --      3.2835                 2.8717                 4.8056
 Frc consts  --      0.3608                 0.3716                 0.8347
 IR Inten    --      0.8990                 1.7200                 3.0389
 RamAct Fr= 1--      1.1803                 0.3717                 5.6496
  Dep-P Fr= 1--      0.7095                 0.5022                 0.0574
  Dep-U Fr= 1--      0.8300                 0.6686                 0.1085
 Alpha2 Fr= 1--      0.0008                 0.0018                 0.1096
 Beta2  Fr= 1--      0.1633                 0.0414                 0.1022
 AlphaG Fr= 1--     -0.0001                -0.0020                -0.0176
 Gamma2 Fr= 1--      0.2473                -0.2005                 0.5337
 Delta2 Fr= 1--     -0.2763                 0.0060                 0.1635
 Raman1 Fr= 1--       4.721                  1.487                 22.598
 ROA1   Fr= 1--      14.900                -19.061                 56.468
 CID1   Fr= 1--       3.156                -12.819                  2.499
 Raman2 Fr= 1--       1.959                  0.497                  1.226
 ROA2   Fr= 1--       8.146                 -4.860                 11.501
 CID2   Fr= 1--       4.158                 -9.778                  9.379
 Raman3 Fr= 1--       3.919                  0.994                  2.453
 ROA3   Fr= 1--      14.900                -19.061                 56.468
 CID3   Fr= 1--       3.802                -19.173                 23.024
 RC180  Fr= 1--       0.660                  0.337                 -0.783
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.01    -0.05  -0.06   0.09     0.01   0.03  -0.07
     2   6    -0.13   0.10   0.03     0.18   0.19   0.11     0.09  -0.06  -0.05
     3   6    -0.07  -0.01   0.11     0.13   0.06  -0.05     0.02   0.19   0.09
     4   6    -0.03  -0.10   0.08     0.08  -0.02  -0.10    -0.02  -0.06   0.13
     5   8     0.06  -0.04   0.04    -0.05  -0.08  -0.01     0.06  -0.14   0.01
     6   6    -0.12   0.15  -0.09    -0.07   0.03  -0.03     0.13  -0.13   0.03
     7   7     0.17   0.08  -0.00     0.01   0.00   0.02    -0.12   0.26   0.06
     8   8    -0.04  -0.13  -0.10    -0.11  -0.03  -0.02    -0.15  -0.10  -0.18
     9   1    -0.00   0.04   0.12     0.04  -0.01  -0.07     0.11   0.37   0.14
    10   1    -0.16   0.13   0.02     0.21   0.17   0.10     0.22  -0.10  -0.13
    11   1     0.14  -0.04  -0.03    -0.10  -0.07  -0.09    -0.11  -0.12  -0.09
    12   1     0.34  -0.09   0.12    -0.07   0.07  -0.02    -0.16   0.30   0.19
    13   1     0.02   0.26  -0.16     0.06  -0.09   0.08    -0.14   0.13   0.08
    14   1    -0.16   0.17  -0.17    -0.05  -0.21  -0.05     0.15  -0.08   0.09
    15   1    -0.17   0.20  -0.13    -0.33   0.25  -0.17     0.21  -0.19   0.06
    16   1    -0.04   0.05  -0.11    -0.13  -0.19  -0.07     0.10  -0.05   0.05
    17   1     0.19  -0.21   0.22    -0.15  -0.13  -0.20    -0.02   0.15  -0.13
    18   1     0.23  -0.04  -0.29    -0.16  -0.16  -0.03    -0.05   0.04   0.12
    19   1     0.17  -0.11   0.02    -0.15  -0.24   0.43    -0.00   0.10  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    657.7769               742.1711               804.2921
 Red. masses --      4.7487                 4.4488                 2.4578
 Frc consts  --      1.2105                 1.4438                 0.9367
 IR Inten    --      8.8674                10.0187                30.6583
 RamAct Fr= 1--      1.5338                 7.5586                 6.0710
  Dep-P Fr= 1--      0.7338                 0.0376                 0.0794
  Dep-U Fr= 1--      0.8465                 0.0725                 0.1471
 Alpha2 Fr= 1--      0.0004                 0.1538                 0.1118
 Beta2  Fr= 1--      0.2164                 0.0913                 0.1489
 AlphaG Fr= 1--     -0.0010                -0.0337                -0.0714
 Gamma2 Fr= 1--     -1.0169                -1.2916                 0.2193
 Delta2 Fr= 1--      0.0416                -0.0689                 0.0367
 Raman1 Fr= 1--       6.135                 30.235                 24.284
 ROA1   Fr= 1--     -96.287               -126.199                 22.224
 CID1   Fr= 1--     -15.695                 -4.174                  0.915
 Raman2 Fr= 1--       2.597                  1.095                  1.787
 ROA2   Fr= 1--     -24.737                -30.447                  4.969
 CID2   Fr= 1--      -9.527                -27.795                  2.781
 Raman3 Fr= 1--       5.193                  2.191                  3.573
 ROA3   Fr= 1--     -96.287               -126.199                 22.224
 CID3   Fr= 1--     -18.541                -57.604                  6.220
 RC180  Fr= 1--       0.693                 -0.855                 -0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02  -0.06    -0.04  -0.04   0.08     0.01  -0.04   0.14
     2   6     0.07   0.04  -0.02    -0.19  -0.11  -0.02    -0.00  -0.04  -0.06
     3   6     0.09  -0.03   0.27     0.09   0.04  -0.03     0.06  -0.00  -0.17
     4   6    -0.10   0.16   0.22     0.30   0.13  -0.10    -0.13   0.02   0.18
     5   8    -0.04  -0.12  -0.09     0.06  -0.15   0.13     0.06  -0.01  -0.03
     6   6    -0.01   0.02   0.00    -0.07   0.04  -0.02    -0.05   0.07  -0.03
     7   7     0.04  -0.23  -0.05    -0.00  -0.04  -0.01    -0.02   0.00  -0.07
     8   8    -0.03   0.17  -0.12    -0.15   0.13  -0.05     0.02   0.02  -0.05
     9   1     0.27   0.03   0.28     0.02  -0.03  -0.05     0.28   0.16  -0.13
    10   1     0.07   0.07  -0.07    -0.07  -0.14  -0.09    -0.08  -0.04   0.04
    11   1    -0.26  -0.09  -0.31    -0.17  -0.10  -0.19    -0.28  -0.01   0.21
    12   1    -0.14  -0.06  -0.43    -0.08   0.04  -0.07     0.09  -0.09   0.36
    13   1    -0.13   0.03  -0.25     0.08  -0.14   0.07     0.34  -0.36   0.31
    14   1     0.03  -0.14   0.07    -0.12   0.41  -0.05    -0.04   0.10  -0.02
    15   1    -0.11   0.08  -0.01     0.23  -0.15   0.03    -0.01   0.03   0.01
    16   1    -0.11   0.01   0.01     0.07   0.15  -0.01    -0.05   0.13  -0.01
    17   1     0.03   0.02  -0.04     0.08  -0.02   0.42    -0.03  -0.00   0.06
    18   1     0.03   0.02  -0.09     0.11   0.05   0.09    -0.04  -0.05   0.26
    19   1     0.04   0.01  -0.05     0.10   0.08  -0.21    -0.05  -0.02   0.16
                     16                     17                     18
                      A                      A                      A
 Frequencies --    844.1253               867.5843               920.4063
 Red. masses --      2.0377                 1.1752                 1.8060
 Frc consts  --      0.8555                 0.5212                 0.9014
 IR Inten    --     15.7014                73.4120                74.4035
 RamAct Fr= 1--      2.0397                 1.2979                 0.9164
  Dep-P Fr= 1--      0.7465                 0.1516                 0.2429
  Dep-U Fr= 1--      0.8548                 0.2633                 0.3909
 Alpha2 Fr= 1--      0.0001                 0.0200                 0.0111
 Beta2  Fr= 1--      0.2906                 0.0570                 0.0597
 AlphaG Fr= 1--      0.0006                 0.0855                -0.0186
 Gamma2 Fr= 1--      0.5328                 0.1279                 0.0305
 Delta2 Fr= 1--      0.1983                 0.1176                 0.1251
 Raman1 Fr= 1--       8.159                  5.192                  3.666
 ROA1   Fr= 1--      57.495                 16.043                  6.929
 CID1   Fr= 1--       7.047                  3.090                  1.890
 Raman2 Fr= 1--       3.487                  0.684                  0.716
 ROA2   Fr= 1--      11.201                  2.129                 -0.270
 CID2   Fr= 1--       3.212                  3.114                 -0.377
 Raman3 Fr= 1--       6.975                  1.367                  1.433
 ROA3   Fr= 1--      57.495                 16.043                  6.929
 CID3   Fr= 1--       8.244                 11.736                  4.836
 RC180  Fr= 1--       0.710                 -0.473                 -0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.05   0.10    -0.01   0.00  -0.02    -0.02  -0.05   0.01
     2   6    -0.03  -0.05  -0.05    -0.01   0.00   0.01     0.03  -0.03  -0.01
     3   6     0.13   0.10   0.01     0.03   0.00   0.06     0.07  -0.03   0.15
     4   6    -0.05  -0.07  -0.02     0.03  -0.01  -0.05     0.04  -0.03  -0.05
     5   8    -0.07   0.05  -0.07     0.00   0.01  -0.05    -0.08   0.04  -0.04
     6   6    -0.05   0.04  -0.03    -0.00  -0.00   0.00    -0.01   0.06  -0.01
     7   7     0.06  -0.01   0.07     0.03   0.01  -0.03    -0.08   0.03  -0.08
     8   8     0.03  -0.07   0.02    -0.01  -0.01   0.02     0.01  -0.03   0.02
     9   1     0.25   0.10   0.01    -0.02   0.03   0.08    -0.01   0.10   0.19
    10   1     0.13  -0.09  -0.14     0.04   0.01  -0.04     0.13   0.09  -0.28
    11   1     0.18   0.03  -0.02    -0.64  -0.01   0.72     0.14   0.04  -0.23
    12   1    -0.37   0.38  -0.36    -0.00   0.03   0.13     0.20  -0.21   0.31
    13   1    -0.31  -0.03  -0.25    -0.09  -0.03  -0.11     0.37  -0.06   0.34
    14   1    -0.05   0.20   0.01    -0.01   0.01  -0.01     0.00  -0.07   0.00
    15   1     0.12  -0.09   0.04     0.00   0.00  -0.01    -0.11   0.13  -0.04
    16   1    -0.03   0.19  -0.00     0.01  -0.02  -0.00    -0.08   0.01  -0.02
    17   1     0.02   0.03   0.21     0.03  -0.01   0.06     0.05   0.09   0.22
    18   1     0.03   0.00   0.22     0.02   0.01  -0.03     0.09   0.06   0.23
    19   1     0.03   0.05  -0.06     0.02   0.02  -0.07     0.05   0.13  -0.30
                     19                     20                     21
                      A                      A                      A
 Frequencies --    940.1008               951.7660               976.8342
 Red. masses --      1.5866                 1.5169                 1.4812
 Frc consts  --      0.8262                 0.8096                 0.8327
 IR Inten    --     28.3909                 0.8385                 2.2908
 RamAct Fr= 1--      3.3407                 2.1454                 2.3594
  Dep-P Fr= 1--      0.4572                 0.7274                 0.7461
  Dep-U Fr= 1--      0.6275                 0.8422                 0.8546
 Alpha2 Fr= 1--      0.0199                 0.0008                 0.0002
 Beta2  Fr= 1--      0.3494                 0.3011                 0.3360
 AlphaG Fr= 1--     -0.0150                 0.0050                -0.0013
 Gamma2 Fr= 1--     -1.0395                 0.5956                 0.2895
 Delta2 Fr= 1--     -0.9508                 0.3924                 0.3697
 Raman1 Fr= 1--      13.363                  8.581                  9.438
 ROA1   Fr= 1--    -130.215                 69.733                 39.622
 CID1   Fr= 1--      -9.745                  8.126                  4.198
 Raman2 Fr= 1--       4.193                  3.614                  4.033
 ROA2   Fr= 1--     -17.340                 11.155                  3.991
 CID2   Fr= 1--      -4.136                  3.087                  0.990
 Raman3 Fr= 1--       8.386                  7.227                  8.065
 ROA3   Fr= 1--    -130.215                 69.733                 39.622
 CID3   Fr= 1--     -15.528                  9.649                  4.913
 RC180  Fr= 1--       0.255                  0.684                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.09   0.03     0.02   0.02   0.09    -0.09  -0.00   0.07
     2   6     0.08  -0.05  -0.05     0.06  -0.01  -0.09    -0.05   0.07  -0.05
     3   6    -0.10  -0.04  -0.02    -0.05  -0.05   0.06     0.00  -0.01  -0.04
     4   6     0.01   0.02  -0.01     0.03   0.01  -0.03    -0.02   0.00   0.01
     5   8     0.04  -0.03   0.04     0.00  -0.01   0.01     0.01  -0.01   0.01
     6   6     0.00   0.09  -0.01    -0.01   0.02  -0.11     0.12  -0.05  -0.01
     7   7     0.00   0.02   0.04    -0.03   0.03  -0.00     0.01   0.01   0.01
     8   8    -0.01   0.03  -0.00    -0.01   0.01   0.01     0.00   0.01  -0.00
     9   1    -0.13  -0.15  -0.06    -0.05  -0.10   0.04     0.03  -0.02  -0.05
    10   1    -0.08   0.14  -0.21     0.16  -0.19   0.10    -0.18   0.24  -0.20
    11   1    -0.07  -0.02   0.10    -0.04  -0.00   0.03    -0.00  -0.01   0.02
    12   1    -0.02   0.03  -0.14     0.09  -0.09   0.02    -0.05   0.07  -0.05
    13   1    -0.22   0.22  -0.19    -0.06   0.19  -0.05    -0.04  -0.01  -0.04
    14   1     0.01  -0.17  -0.04     0.14  -0.12   0.25     0.19  -0.51   0.10
    15   1    -0.24   0.27  -0.09     0.10  -0.23   0.24    -0.20   0.09   0.04
    16   1    -0.10  -0.07  -0.03    -0.32   0.58   0.02    -0.17  -0.07   0.00
    17   1    -0.04   0.20  -0.11    -0.01  -0.11  -0.03     0.10  -0.12   0.54
    18   1    -0.03   0.00   0.58    -0.04  -0.06  -0.10     0.16   0.08  -0.19
    19   1    -0.10   0.18  -0.22     0.01  -0.14   0.32     0.16  -0.01  -0.11
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1079.1748              1094.5876              1127.2108
 Red. masses --      3.3100                 1.6390                 1.5110
 Frc consts  --      2.2713                 1.1570                 1.1312
 IR Inten    --      8.9736                11.4462                 1.7731
 RamAct Fr= 1--      2.0793                 5.7868                 0.9478
  Dep-P Fr= 1--      0.3948                 0.6398                 0.7304
  Dep-U Fr= 1--      0.5661                 0.7803                 0.8442
 Alpha2 Fr= 1--      0.0157                 0.0115                 0.0003
 Beta2  Fr= 1--      0.1962                 0.7526                 0.1334
 AlphaG Fr= 1--     -0.0037                -0.0094                -0.0019
 Gamma2 Fr= 1--     -1.1532                -1.2623                 0.9131
 Delta2 Fr= 1--     -0.1929                -1.7915                 0.7077
 Raman1 Fr= 1--       8.317                 23.147                  3.791
 ROA1   Fr= 1--    -116.885               -178.512                110.300
 CID1   Fr= 1--     -14.053                 -7.712                 29.094
 Raman2 Fr= 1--       2.354                  9.031                  1.600
 ROA2   Fr= 1--     -26.134                -15.964                 16.252
 CID2   Fr= 1--     -11.101                 -1.768                 10.156
 Raman3 Fr= 1--       4.709                 18.063                  3.200
 ROA3   Fr= 1--    -116.885               -178.512                110.300
 CID3   Fr= 1--     -24.824                 -9.883                 34.464
 RC180  Fr= 1--       0.132                  0.561                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.04   0.06     0.05   0.01   0.07    -0.07  -0.02   0.01
     2   6     0.01   0.11  -0.08    -0.08   0.07  -0.11     0.09   0.09  -0.01
     3   6    -0.20   0.28  -0.01     0.03  -0.06   0.03     0.02  -0.06  -0.04
     4   6     0.05  -0.02  -0.00     0.08  -0.00   0.01    -0.07   0.01   0.01
     5   8    -0.01   0.03   0.00    -0.04   0.02  -0.03     0.03  -0.02   0.01
     6   6     0.02  -0.08  -0.01     0.01  -0.06   0.06    -0.07  -0.05   0.03
     7   7     0.05  -0.21   0.01    -0.05   0.03  -0.00    -0.03   0.02   0.01
     8   8    -0.01  -0.04   0.00    -0.00  -0.01   0.01     0.01   0.02  -0.01
     9   1    -0.11   0.40   0.03     0.61  -0.08  -0.04    -0.07  -0.29  -0.11
    10   1     0.24   0.12  -0.31    -0.26   0.14  -0.05     0.43   0.03  -0.25
    11   1    -0.07   0.02  -0.01    -0.09   0.02  -0.06     0.04  -0.02   0.08
    12   1     0.29  -0.44   0.10     0.18  -0.18  -0.01     0.15  -0.15   0.00
    13   1     0.13  -0.05   0.03    -0.10   0.36  -0.10    -0.09   0.28  -0.09
    14   1     0.03   0.05   0.03    -0.06   0.05  -0.10    -0.12   0.36  -0.04
    15   1     0.17  -0.18   0.03     0.07  -0.03  -0.08     0.23  -0.17  -0.05
    16   1     0.08   0.03   0.01     0.17  -0.25   0.01     0.22  -0.02   0.02
    17   1    -0.02   0.09  -0.01    -0.04   0.01  -0.18     0.05   0.00   0.32
    18   1    -0.01  -0.01   0.24    -0.10  -0.07   0.13     0.13   0.08  -0.04
    19   1    -0.04   0.05   0.00    -0.09  -0.03   0.24     0.11   0.02  -0.17
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1190.8111              1210.6104              1250.3467
 Red. masses --      2.3767                 1.9921                 1.5617
 Frc consts  --      1.9857                 1.7202                 1.4385
 IR Inten    --     26.6574                 2.2117                 3.8816
 RamAct Fr= 1--      5.9637                 3.8485                 3.2398
  Dep-P Fr= 1--      0.6563                 0.3985                 0.5104
  Dep-U Fr= 1--      0.7925                 0.5699                 0.6758
 Alpha2 Fr= 1--      0.0100                 0.0287                 0.0152
 Beta2  Fr= 1--      0.7877                 0.3656                 0.3649
 AlphaG Fr= 1--     -0.0087                 0.0075                 0.0131
 Gamma2 Fr= 1--      1.7852                 0.0715                -2.0830
 Delta2 Fr= 1--      2.1139                 0.2393                -1.0584
 Raman1 Fr= 1--      23.855                 15.394                 12.959
 ROA1   Fr= 1--     239.027                 14.523               -233.831
 CID1   Fr= 1--      10.020                  0.943                -18.044
 Raman2 Fr= 1--       9.453                  4.387                  4.379
 ROA2   Fr= 1--      25.934                 -0.197                -41.524
 CID2   Fr= 1--       2.744                 -0.045                 -9.482
 Raman3 Fr= 1--      18.905                  8.773                  8.758
 ROA3   Fr= 1--     239.027                 14.523               -233.831
 CID3   Fr= 1--      12.644                  1.655                -26.699
 RC180  Fr= 1--       0.585                  0.140                  0.352
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08   0.02  -0.03     0.02  -0.11  -0.06    -0.02  -0.03  -0.03
     2   6     0.09  -0.10   0.05    -0.05   0.15   0.14    -0.03  -0.03   0.08
     3   6    -0.04   0.02  -0.10     0.03  -0.04  -0.04     0.04   0.08  -0.01
     4   6     0.16   0.00   0.15     0.04   0.00   0.07    -0.10  -0.01  -0.10
     5   8    -0.06   0.08  -0.06    -0.02   0.03  -0.02     0.03  -0.05   0.02
     6   6    -0.00   0.07   0.01     0.00  -0.08  -0.10     0.04   0.03  -0.02
     7   7    -0.04  -0.02   0.04     0.00   0.02  -0.00    -0.04  -0.03   0.02
     8   8    -0.01  -0.07  -0.00     0.00  -0.02  -0.00     0.00   0.04   0.00
     9   1     0.17   0.06  -0.10     0.06  -0.09  -0.05     0.54   0.14  -0.04
    10   1     0.09  -0.24   0.27    -0.20   0.17   0.25     0.09  -0.23   0.28
    11   1    -0.37   0.09  -0.26    -0.15   0.03  -0.11     0.25  -0.07   0.24
    12   1     0.19  -0.24  -0.08    -0.02   0.03  -0.03     0.27  -0.32   0.07
    13   1    -0.18   0.30  -0.15    -0.01   0.02  -0.02    -0.09   0.31  -0.08
    14   1    -0.02  -0.02  -0.04     0.12  -0.02   0.23     0.07  -0.12   0.04
    15   1    -0.12   0.17  -0.05     0.14  -0.32   0.21    -0.12   0.08   0.06
    16   1    -0.04  -0.01  -0.00    -0.10   0.33  -0.01    -0.12   0.03  -0.01
    17   1     0.04  -0.10   0.27    -0.02   0.25  -0.05    -0.01   0.04   0.01
    18   1     0.09   0.07  -0.23     0.04   0.02   0.36     0.03   0.02   0.01
    19   1     0.13  -0.03  -0.14    -0.12   0.19  -0.36     0.00   0.05  -0.16
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1304.1075              1344.0115              1372.9483
 Red. masses --      1.6053                 1.2774                 1.4136
 Frc consts  --      1.6086                 1.3596                 1.5699
 IR Inten    --      7.6546                12.1445                 8.7819
 RamAct Fr= 1--      3.3806                 4.0456                 2.9583
  Dep-P Fr= 1--      0.5925                 0.4436                 0.4628
  Dep-U Fr= 1--      0.7441                 0.6146                 0.6328
 Alpha2 Fr= 1--      0.0099                 0.0254                 0.0172
 Beta2  Fr= 1--      0.4192                 0.4144                 0.3120
 AlphaG Fr= 1--     -0.0295                -0.0580                -0.0094
 Gamma2 Fr= 1--      0.1466                -0.2366                 1.8673
 Delta2 Fr= 1--      0.8497                 0.0195                -0.6621
 Raman1 Fr= 1--      13.522                 16.183                 11.833
 ROA1   Fr= 1--      41.266                -22.092                158.077
 CID1   Fr= 1--       3.052                 -1.365                 13.359
 Raman2 Fr= 1--       5.031                  4.973                  3.744
 ROA2   Fr= 1--      -3.278                 -5.835                 50.113
 CID2   Fr= 1--      -0.652                 -1.173                 13.386
 Raman3 Fr= 1--      10.062                  9.946                  7.487
 ROA3   Fr= 1--      41.266                -22.092                158.077
 CID3   Fr= 1--       4.101                 -2.221                 21.112
 RC180  Fr= 1--       0.488                  0.229                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.02  -0.00     0.02   0.03  -0.00    -0.01   0.04   0.01
     2   6     0.13   0.03  -0.04     0.01  -0.05   0.05     0.06  -0.09   0.10
     3   6    -0.12  -0.09   0.02     0.08  -0.05  -0.06    -0.06   0.06   0.02
     4   6     0.01  -0.00  -0.06    -0.00  -0.00   0.01    -0.02   0.00  -0.02
     5   8    -0.00  -0.01   0.01    -0.01  -0.01  -0.01     0.02   0.01   0.02
     6   6    -0.05  -0.02   0.01    -0.02  -0.02  -0.03    -0.03  -0.02  -0.04
     7   7     0.04   0.02   0.00    -0.03  -0.01   0.05     0.00   0.00  -0.03
     8   8    -0.01   0.03   0.01    -0.00   0.02  -0.00     0.00  -0.02   0.01
     9   1     0.43   0.56   0.19    -0.30   0.58   0.19     0.46  -0.38  -0.17
    10   1    -0.27   0.05   0.31    -0.26   0.36  -0.32    -0.24   0.44  -0.42
    11   1     0.08  -0.02   0.04     0.09  -0.02   0.09    -0.10   0.02  -0.08
    12   1    -0.14   0.18  -0.02     0.15  -0.18  -0.00    -0.04   0.05   0.02
    13   1     0.04  -0.21   0.05    -0.13   0.23  -0.09     0.06  -0.06   0.03
    14   1    -0.05   0.13   0.00    -0.01   0.12   0.03     0.02   0.14   0.11
    15   1     0.11  -0.06  -0.06    -0.00  -0.06   0.03    -0.04  -0.06   0.05
    16   1     0.13   0.03   0.01    -0.04   0.12   0.00    -0.00   0.15  -0.01
    17   1     0.00   0.00   0.15     0.01  -0.07  -0.05    -0.03  -0.09  -0.13
    18   1     0.12   0.08  -0.01    -0.06  -0.02  -0.04     0.01   0.01  -0.19
    19   1     0.10  -0.01  -0.14     0.01  -0.03   0.09     0.11  -0.01  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1381.2699              1411.7578              1413.6579
 Red. masses --      1.3360                 1.4691                 1.3259
 Frc consts  --      1.5019                 1.7252                 1.5611
 IR Inten    --     54.1259               185.1708               124.5755
 RamAct Fr= 1--      3.8228                 2.5208                 1.0898
  Dep-P Fr= 1--      0.7291                 0.1565                 0.1252
  Dep-U Fr= 1--      0.8433                 0.2706                 0.2225
 Alpha2 Fr= 1--      0.0014                 0.0383                 0.0179
 Beta2  Fr= 1--      0.5373                 0.1137                 0.0404
 AlphaG Fr= 1--     -0.0052                 0.0319                 0.0220
 Gamma2 Fr= 1--      0.8268                -0.9361                -0.2732
 Delta2 Fr= 1--     -0.2144                -0.6586                -0.2924
 Raman1 Fr= 1--      15.291                 10.083                  4.359
 ROA1   Fr= 1--      72.510               -110.938                -35.585
 CID1   Fr= 1--       4.742                -11.002                 -8.163
 Raman2 Fr= 1--       6.448                  1.364                  0.485
 ROA2   Fr= 1--      21.557                -17.197                 -4.218
 CID2   Fr= 1--       3.343                -12.607                 -8.695
 Raman3 Fr= 1--      12.896                  2.728                  0.970
 ROA3   Fr= 1--      72.510               -110.938                -35.585
 CID3   Fr= 1--       5.623                -40.663                -36.683
 RC180  Fr= 1--       0.687                 -0.459                 -0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.01     0.01  -0.01   0.07    -0.01  -0.03   0.07
     2   6    -0.07   0.02   0.07    -0.02   0.01   0.02     0.00   0.02  -0.04
     3   6    -0.05  -0.10  -0.03    -0.05  -0.03  -0.02     0.04   0.01   0.02
     4   6    -0.01  -0.00  -0.03     0.09  -0.01   0.08    -0.05   0.01  -0.04
     5   8     0.02   0.02   0.02    -0.06  -0.02  -0.06     0.04   0.01   0.03
     6   6     0.02   0.02  -0.01     0.03  -0.03   0.01     0.05  -0.08   0.03
     7   7     0.02   0.02   0.01     0.01   0.02  -0.00    -0.01  -0.01   0.00
     8   8     0.01  -0.00   0.01    -0.02   0.04  -0.02     0.01  -0.03   0.01
     9   1     0.28   0.34   0.09     0.07  -0.05  -0.04    -0.12   0.05   0.05
    10   1     0.60  -0.12  -0.39     0.20  -0.04  -0.13    -0.10  -0.05   0.17
    11   1    -0.29   0.06  -0.26     0.51  -0.11   0.46    -0.31   0.07  -0.27
    12   1    -0.06   0.08  -0.07    -0.01   0.03  -0.01     0.01  -0.02   0.01
    13   1    -0.03  -0.10  -0.01     0.01  -0.12   0.02    -0.01   0.06  -0.01
    14   1     0.04  -0.09   0.03    -0.02   0.13  -0.06    -0.07   0.36  -0.17
    15   1    -0.04   0.00   0.09    -0.14   0.11  -0.05    -0.28   0.23  -0.17
    16   1    -0.05  -0.09  -0.02    -0.12   0.12   0.04    -0.20   0.29   0.10
    17   1    -0.02   0.01  -0.12    -0.12   0.08  -0.27    -0.13   0.08  -0.26
    18   1    -0.05  -0.05  -0.08     0.04  -0.08  -0.33     0.11  -0.03  -0.26
    19   1    -0.04   0.06  -0.01     0.00   0.20  -0.24     0.07   0.15  -0.27
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1434.4863              1490.7957              1494.9096
 Red. masses --      1.2343                 1.0395                 1.0530
 Frc consts  --      1.4965                 1.3611                 1.3865
 IR Inten    --     11.8249                 0.3869                 3.5180
 RamAct Fr= 1--      0.7952                 8.3070                 0.5383
  Dep-P Fr= 1--      0.4553                 0.7495                 0.7162
  Dep-U Fr= 1--      0.6257                 0.8568                 0.8347
 Alpha2 Fr= 1--      0.0048                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0829                 1.1863                 0.0749
 AlphaG Fr= 1--      0.0030                -0.0009                -0.0030
 Gamma2 Fr= 1--     -0.0940                 0.4794                -0.2678
 Delta2 Fr= 1--     -0.0339                 0.2790                -0.0638
 Raman1 Fr= 1--       3.181                 33.228                  2.153
 ROA1   Fr= 1--     -10.114                 54.953                -27.752
 CID1   Fr= 1--      -3.180                  1.654                -12.890
 Raman2 Fr= 1--       0.995                 14.235                  0.899
 ROA2   Fr= 1--      -1.986                  9.274                 -5.918
 CID2   Fr= 1--      -1.996                  0.651                 -6.586
 Raman3 Fr= 1--       1.990                 28.471                  1.797
 ROA3   Fr= 1--     -10.114                 54.953                -27.752
 CID3   Fr= 1--      -5.082                  1.930                -15.443
 RC180  Fr= 1--       0.251                  0.714                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.09     0.03   0.02   0.01    -0.03   0.01   0.01
     2   6    -0.01   0.01   0.02    -0.00   0.00  -0.01    -0.01   0.01  -0.03
     3   6    -0.03  -0.01  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.02   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
     5   8    -0.01  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.06  -0.08   0.01    -0.03  -0.02  -0.01     0.01   0.00  -0.04
     7   7     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1     0.12  -0.02  -0.01    -0.01   0.01   0.00    -0.06   0.01   0.01
    10   1     0.11  -0.02  -0.07     0.02  -0.05   0.05     0.03  -0.06   0.05
    11   1     0.08  -0.01   0.06    -0.00   0.00  -0.02     0.02  -0.00   0.02
    12   1    -0.03   0.04  -0.01     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   1     0.02  -0.06   0.02    -0.00  -0.00  -0.00     0.00   0.01   0.00
    14   1    -0.04   0.39  -0.10     0.15  -0.04   0.42     0.12   0.33   0.35
    15   1    -0.35   0.22  -0.10    -0.16   0.20  -0.24    -0.38  -0.01   0.39
    16   1    -0.22   0.28   0.09     0.49   0.20   0.01     0.13  -0.31  -0.09
    17   1     0.16  -0.05   0.35     0.09  -0.27   0.12    -0.07  -0.20  -0.21
    18   1    -0.11   0.05   0.36    -0.38  -0.23  -0.04     0.09   0.12   0.20
    19   1    -0.12  -0.20   0.33    -0.13   0.22  -0.17     0.37  -0.15  -0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.6131              1513.9948              1656.1238
 Red. masses --      1.0446                 1.0564                 1.0912
 Frc consts  --      1.3988                 1.4266                 1.7634
 IR Inten    --      9.4583                12.4635                47.2885
 RamAct Fr= 1--      6.6720                 1.1569                 4.2185
  Dep-P Fr= 1--      0.7400                 0.7494                 0.5667
  Dep-U Fr= 1--      0.8506                 0.8567                 0.7234
 Alpha2 Fr= 1--      0.0011                 0.0000                 0.0146
 Beta2  Fr= 1--      0.9459                 0.1652                 0.5086
 AlphaG Fr= 1--      0.0013                 0.0000                -0.0282
 Gamma2 Fr= 1--      0.9536                 0.1036                -0.7927
 Delta2 Fr= 1--     -0.3110                 0.0526                -0.4415
 Raman1 Fr= 1--      26.688                  4.628                 16.874
 ROA1   Fr= 1--      81.596                 11.625                -90.226
 CID1   Fr= 1--       3.057                  2.512                 -5.347
 Raman2 Fr= 1--      11.350                  1.982                  6.104
 ROA2   Fr= 1--      25.375                  2.064                -15.493
 CID2   Fr= 1--       2.236                  1.041                 -2.538
 Raman3 Fr= 1--      22.701                  3.965                 12.207
 ROA3   Fr= 1--      81.596                 11.625                -90.226
 CID3   Fr= 1--       3.594                  2.932                 -7.391
 RC180  Fr= 1--       0.701                  0.713                  0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.00     0.03   0.00   0.01     0.00  -0.00   0.00
     2   6     0.00  -0.03  -0.02     0.04   0.00  -0.02    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.01   0.00   0.01    -0.01  -0.01  -0.02
     4   6    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.02     0.02   0.02  -0.02     0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.02  -0.07  -0.02
     8   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1    -0.02   0.01   0.01     0.00  -0.01  -0.00     0.01   0.05  -0.01
    10   1    -0.02  -0.01  -0.03    -0.08   0.03   0.06     0.03  -0.02  -0.02
    11   1    -0.02   0.00  -0.01    -0.01   0.00  -0.02     0.03  -0.00   0.01
    12   1     0.01  -0.01  -0.00    -0.00   0.00   0.01    -0.41   0.36   0.44
    13   1    -0.01  -0.01  -0.01     0.01  -0.00   0.00     0.25   0.65   0.06
    14   1     0.10   0.11   0.30    -0.05   0.25  -0.11     0.00  -0.01   0.01
    15   1    -0.21   0.06   0.08    -0.08  -0.17   0.41    -0.01   0.01  -0.00
    16   1     0.24  -0.08  -0.04    -0.28  -0.34  -0.06     0.00   0.00   0.00
    17   1    -0.02   0.59   0.13     0.12  -0.08   0.25    -0.00   0.02   0.00
    18   1     0.30   0.08  -0.29    -0.35  -0.26  -0.19     0.00  -0.00  -0.02
    19   1    -0.37  -0.00   0.28    -0.33   0.28  -0.11    -0.02   0.01   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1834.5192              2985.8625              3036.3373
 Red. masses --      9.3980                 1.0830                 1.0362
 Frc consts  --     18.6350                 5.6890                 5.6286
 IR Inten    --    283.5996                33.5231                20.4500
 RamAct Fr= 1--     12.7510               121.4665                10.3225
  Dep-P Fr= 1--      0.2518                 0.3017                 0.1729
  Dep-U Fr= 1--      0.4023                 0.4635                 0.2949
 Alpha2 Fr= 1--      0.1504                 1.2395                 0.1505
 Beta2  Fr= 1--      0.8550                 9.3842                 0.5073
 AlphaG Fr= 1--     -0.0097                 0.9262                 0.0783
 Gamma2 Fr= 1--      1.1878                 4.9140                -0.9365
 Delta2 Fr= 1--     -0.3703                -2.1870                -1.1108
 Raman1 Fr= 1--      51.004                485.866                 41.290
 ROA1   Fr= 1--     102.182                401.757               -125.451
 CID1   Fr= 1--       2.003                  0.827                 -3.038
 Raman2 Fr= 1--      10.260                112.610                  6.088
 ROA2   Fr= 1--      31.470                135.432                -13.590
 CID2   Fr= 1--       3.067                  1.203                 -2.232
 Raman3 Fr= 1--      20.519                225.221                 12.176
 ROA3   Fr= 1--     102.182                401.757               -125.451
 CID3   Fr= 1--       4.980                  1.784                -10.303
 RC180  Fr= 1--      -0.195                 -0.073                 -0.410
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.00     0.00   0.01   0.00     0.00  -0.00   0.04
     2   6    -0.01   0.01   0.01    -0.04  -0.06  -0.04     0.00   0.00   0.00
     3   6    -0.01  -0.05  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     4   6    -0.04   0.70  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
     5   8    -0.02  -0.06  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.01   0.00   0.00     0.02  -0.02   0.01
     7   7     0.00  -0.01   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8     0.02  -0.43   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.07   0.15   0.03    -0.01   0.02  -0.06     0.01  -0.05   0.14
    10   1     0.07  -0.01  -0.04     0.47   0.73   0.47    -0.01  -0.02  -0.01
    11   1     0.38  -0.02   0.34     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.01   0.03    -0.00   0.01   0.00    -0.00  -0.00   0.00
    13   1    -0.00   0.02  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00  -0.06  -0.02    -0.04  -0.00   0.02    -0.36  -0.04   0.14
    15   1     0.07  -0.02  -0.03    -0.02  -0.04  -0.02     0.12   0.21   0.12
    16   1     0.00   0.01   0.00     0.00   0.01  -0.05    -0.01   0.06  -0.37
    17   1    -0.00  -0.01  -0.01    -0.03   0.00   0.01     0.41   0.05  -0.14
    18   1    -0.03  -0.01   0.01     0.02  -0.03   0.00    -0.22   0.36  -0.07
    19   1    -0.01   0.02  -0.01    -0.03  -0.06  -0.04    -0.21  -0.36  -0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3037.7537              3041.4443              3095.7370
 Red. masses --      1.0630                 1.0560                 1.1021
 Frc consts  --      5.7796                 5.7552                 6.2228
 IR Inten    --     19.0056                21.1253                23.0286
 RamAct Fr= 1--     52.7836               358.5840                58.2632
  Dep-P Fr= 1--      0.1613                 0.0219                 0.7470
  Dep-U Fr= 1--      0.2779                 0.0428                 0.8552
 Alpha2 Fr= 1--      0.7927                 7.5709                 0.0030
 Beta2  Fr= 1--      2.4443                 2.5562                 8.3043
 AlphaG Fr= 1--     -0.3142                 0.7812                -0.0201
 Gamma2 Fr= 1--      0.6137                 3.1062                -0.2807
 Delta2 Fr= 1--      2.6476                 0.9237                 2.8750
 Raman1 Fr= 1--     211.134               1434.336                233.053
 ROA1   Fr= 1--     143.643                327.749                 65.051
 CID1   Fr= 1--       0.680                  0.229                  0.279
 Raman2 Fr= 1--      29.332                 30.674                 99.652
 ROA2   Fr= 1--      -6.452                 67.159                -29.738
 CID2   Fr= 1--      -0.220                  2.189                 -0.298
 Raman3 Fr= 1--      58.664                 61.349                199.304
 ROA3   Fr= 1--     143.643                327.749                 65.051
 CID3   Fr= 1--       2.449                  5.342                  0.326
 RC180  Fr= 1--      -0.444                 -0.914                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02     0.00  -0.00   0.02    -0.02  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.01   0.02  -0.06    -0.00   0.02  -0.05    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.01  -0.01   0.01    -0.02   0.02  -0.01     0.05   0.01  -0.07
     7   7    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.06  -0.24   0.70     0.05  -0.20   0.59     0.00  -0.01   0.04
    10   1     0.02   0.03   0.02     0.03   0.05   0.03     0.01   0.01   0.01
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   1     0.01   0.00  -0.01     0.01   0.00  -0.01     0.00   0.00  -0.00
    14   1    -0.24  -0.02   0.10     0.40   0.04  -0.16    -0.64  -0.06   0.23
    15   1     0.09   0.14   0.08    -0.14  -0.23  -0.13     0.01   0.00  -0.02
    16   1    -0.01   0.05  -0.31     0.02  -0.07   0.40     0.04  -0.12   0.68
    17   1    -0.26  -0.03   0.09     0.18   0.02  -0.06     0.18   0.02  -0.06
    18   1     0.14  -0.23   0.05    -0.11   0.19  -0.04     0.03  -0.06   0.01
    19   1     0.13   0.23   0.15    -0.11  -0.20  -0.13     0.05   0.09   0.06
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3100.1793              3102.5399              3121.1505
 Red. masses --      1.1018                 1.1017                 1.1004
 Frc consts  --      6.2391                 6.2482                 6.3157
 IR Inten    --     25.0747                28.2507                13.4000
 RamAct Fr= 1--     57.9043                69.0327                35.9363
  Dep-P Fr= 1--      0.5637                 0.7444                 0.7482
  Dep-U Fr= 1--      0.7210                 0.8535                 0.8560
 Alpha2 Fr= 1--      0.2044                 0.0066                 0.0011
 Beta2  Fr= 1--      6.9581                 9.8194                 5.1268
 AlphaG Fr= 1--      0.0906                -0.0221                -0.0157
 Gamma2 Fr= 1--    -12.3393                 6.6784                 4.9738
 Delta2 Fr= 1--     -7.9835                 1.9791                 1.3725
 Raman1 Fr= 1--     231.617                276.131                143.745
 ROA1   Fr= 1--   -1440.046                704.458                521.407
 CID1   Fr= 1--      -6.217                  2.551                  3.627
 Raman2 Fr= 1--      83.497                117.833                 61.522
 ROA2   Fr= 1--    -232.275                144.449                108.392
 CID2   Fr= 1--      -2.782                  1.226                  1.762
 Raman3 Fr= 1--     166.993                235.666                123.044
 ROA3   Fr= 1--   -1440.046                704.458                521.407
 CID3   Fr= 1--      -8.623                  2.989                  4.238
 RC180  Fr= 1--       0.442                  0.707                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.07  -0.01     0.07  -0.06  -0.01    -0.01  -0.01  -0.00
     2   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.02     0.01   0.00  -0.01    -0.06  -0.05  -0.05
     7   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    10   1     0.04   0.06   0.04     0.01   0.02   0.01     0.04   0.06   0.04
    11   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1     0.10   0.01  -0.03    -0.10  -0.01   0.04     0.29   0.02  -0.12
    15   1    -0.05  -0.08  -0.04     0.01   0.01   0.00     0.39   0.70   0.39
    16   1    -0.01   0.03  -0.15     0.01  -0.02   0.09     0.00  -0.06   0.28
    17   1     0.54   0.05  -0.20    -0.53  -0.08   0.19     0.05   0.01  -0.02
    18   1    -0.15   0.21  -0.05    -0.39   0.66  -0.15    -0.01   0.02  -0.00
    19   1     0.31   0.54   0.38     0.10   0.14   0.10     0.03   0.05   0.04
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3452.1046              3504.7337              3580.0060
 Red. masses --      1.0640                 1.0494                 1.0947
 Frc consts  --      7.4706                 7.5943                 8.2665
 IR Inten    --    218.2757                 1.5194                 8.5171
 RamAct Fr= 1--     78.2332               141.0073                60.2901
  Dep-P Fr= 1--      0.0794                 0.1028                 0.7499
  Dep-U Fr= 1--      0.1471                 0.1865                 0.8571
 Alpha2 Fr= 1--      1.4401                 2.4518                 0.0001
 Beta2  Fr= 1--      1.9184                 4.3822                 8.6122
 AlphaG Fr= 1--     -0.0446                -0.3647                 0.0082
 Gamma2 Fr= 1--     -1.7503                 4.0869               -10.1380
 Delta2 Fr= 1--     -1.7342                 3.8247                -0.4621
 Raman1 Fr= 1--     312.933                564.029                241.160
 ROA1   Fr= 1--    -223.522                514.736               -988.035
 CID1   Fr= 1--      -0.714                  0.913                 -4.097
 Raman2 Fr= 1--      23.020                 52.586                103.347
 ROA2   Fr= 1--     -28.133                 67.488               -239.615
 CID2   Fr= 1--      -1.222                  1.283                 -2.319
 Raman3 Fr= 1--      46.041                105.172                206.694
 ROA3   Fr= 1--    -223.522                514.736               -988.035
 CID3   Fr= 1--      -4.855                  4.894                 -4.780
 RC180  Fr= 1--      -0.706                 -0.627                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   6     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   8    -0.01  -0.06  -0.01     0.00   0.01   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     7   7    -0.00  -0.01  -0.00     0.00  -0.04  -0.04     0.07   0.03  -0.04
     8   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.01   0.00    -0.00   0.00   0.01     0.00  -0.00   0.01
    10   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   1     0.06   0.98   0.07    -0.01  -0.13  -0.01     0.00   0.02   0.00
    12   1     0.08   0.08   0.00     0.48   0.49  -0.02    -0.49  -0.52  -0.01
    13   1    -0.05   0.01   0.06    -0.47   0.09   0.53    -0.43   0.10   0.53
    14   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    15   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   730.288281009.065421258.98002
           X            0.99614  -0.08532  -0.02041
           Y            0.08517   0.99633  -0.00820
           Z            0.02103   0.00643   0.99976
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11860     0.08584     0.06880
 Rotational constants (GHZ):           2.47127     1.78853     1.43349
 Zero-point vibrational energy     432973.5 (Joules/Mol)
                                  103.48316 (Kcal/Mol)
 Warning -- explicit consideration of  12 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     93.75   144.41   267.13   330.50   364.23
          (Kelvin)            374.53   406.68   486.60   507.85   621.37
                              674.28   781.20   946.39  1067.82  1157.20
                             1214.51  1248.26  1324.26  1352.60  1369.38
                             1405.45  1552.69  1574.87  1621.80  1713.31
                             1741.80  1798.97  1876.32  1933.73  1975.37
                             1987.34  2031.20  2033.94  2063.91  2144.92
                             2150.84  2169.12  2178.30  2382.79  2639.46
                             4295.99  4368.61  4370.65  4375.96  4454.08
                             4460.47  4463.86  4490.64  4966.81  5042.53
                             5150.83
 
 Zero-point correction=                           0.164911 (Hartree/Particle)
 Thermal correction to Energy=                    0.174047
 Thermal correction to Enthalpy=                  0.174992
 Thermal correction to Gibbs Free Energy=         0.131312
 Sum of electronic and zero-point Energies=           -402.406573
 Sum of electronic and thermal Energies=              -402.397437
 Sum of electronic and thermal Enthalpies=            -402.396493
 Sum of electronic and thermal Free Energies=         -402.440172
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.216             33.566             91.932
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.319
 Vibrational            107.439             27.604             23.425
 Vibration     1          0.597              1.971              4.295
 Vibration     2          0.604              1.949              3.447
 Vibration     3          0.632              1.859              2.271
 Vibration     4          0.652              1.796              1.881
 Vibration     5          0.664              1.757              1.709
 Vibration     6          0.668              1.745              1.660
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.719              1.599              1.221
 Vibration     9          0.729              1.569              1.153
 Vibration    10          0.793              1.401              0.853
 Vibration    11          0.826              1.320              0.741
 Vibration    12          0.898              1.155              0.559
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.398859D-60        -60.399180       -139.074252
 Total V=0       0.284778D+16         15.454506         35.585316
 Vib (Bot)       0.232319D-73        -73.633914       -169.548354
 Vib (Bot)    1  0.316736D+01          0.500697          1.152898
 Vib (Bot)    2  0.204462D+01          0.310613          0.715213
 Vib (Bot)    3  0.107964D+01          0.033280          0.076629
 Vib (Bot)    4  0.857535D+00         -0.066748         -0.153694
 Vib (Bot)    5  0.769812D+00         -0.113615         -0.261609
 Vib (Bot)    6  0.746030D+00         -0.127244         -0.292989
 Vib (Bot)    7  0.679230D+00         -0.167983         -0.386796
 Vib (Bot)    8  0.549654D+00         -0.259911         -0.598466
 Vib (Bot)    9  0.521690D+00         -0.282588         -0.650682
 Vib (Bot)   10  0.402853D+00         -0.394853         -0.909183
 Vib (Bot)   11  0.360329D+00         -0.443301         -1.020739
 Vib (Bot)   12  0.290981D+00         -0.536136         -1.234499
 Vib (V=0)       0.165872D+03          2.219772          5.111215
 Vib (V=0)    1  0.370658D+01          0.568973          1.310110
 Vib (V=0)    2  0.260487D+01          0.415786          0.957383
 Vib (V=0)    3  0.168980D+01          0.227835          0.524611
 Vib (V=0)    4  0.149266D+01          0.173960          0.400557
 Vib (V=0)    5  0.141794D+01          0.151657          0.349204
 Vib (V=0)    6  0.139809D+01          0.145534          0.335105
 Vib (V=0)    7  0.134342D+01          0.128211          0.295217
 Vib (V=0)    8  0.124305D+01          0.094488          0.217566
 Vib (V=0)    9  0.122261D+01          0.087287          0.200985
 Vib (V=0)   10  0.114210D+01          0.057704          0.132867
 Vib (V=0)   11  0.111631D+01          0.047784          0.110028
 Vib (V=0)   12  0.107851D+01          0.032823          0.075577
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.344796D+06          5.537562         12.750707
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3 3        3333333 2                                       1      1 11111111111 111 111                                      
     5  5 4        1110000 9                                       8      6 55444443333 221 100  9999 888 7  6   5  44 332222 1  1   
     8  0 5        2009433 8                                       3      5 10993118740 519 297  7542 640 4  5   4  63 538653 8  06  
     0  5 2        1306186 6                                       5      6 48514421344 011 759  7200 844 2  8   3  92 383030 6  05  
 
     X  X X        XXXXXXX X                                       X      X XXXXXXXXXXX XXX XXX  XXXX XXX X  X   X  XX XXXXXX X  XX  
          X         XXX    X                                       X      X      XXX      X        XX X X                            
          X                                                        X      X      XXX                X X                              
          X                                                        X             XXX                X X                              
          X                                                        X             XX                 X X                              
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X             XX                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X              X                                                  
          X                                                        X                                                                 
          X                                                        X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
                                                                   X                                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000001652   -0.000000477   -0.000001729
      2        6           0.000003500    0.000002749    0.000003534
      3        6          -0.000007881    0.000011348    0.000002724
      4        6           0.000001928   -0.000003206    0.000000115
      5        8           0.000001125    0.000002898    0.000001454
      6        6           0.000000644   -0.000001155    0.000002439
      7        7           0.000004675   -0.000012241    0.000000111
      8        8          -0.000000846    0.000001242   -0.000002553
      9        1           0.000000887   -0.000001392    0.000000008
     10        1          -0.000002425    0.000000412   -0.000000514
     11        1          -0.000003324   -0.000003229   -0.000003216
     12        1          -0.000000842   -0.000000148   -0.000000524
     13        1           0.000001607   -0.000000222   -0.000000451
     14        1           0.000000510    0.000001430    0.000000271
     15        1           0.000000581   -0.000000337   -0.000000527
     16        1           0.000000614   -0.000000673    0.000000067
     17        1          -0.000000132    0.000001585    0.000000049
     18        1           0.000000382    0.000001853   -0.000000722
     19        1           0.000000649   -0.000000438   -0.000000534
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012241 RMS     0.000002981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.809699D+02 -0.258153D+01  0.197897D+01
      2  -0.258153D+01  0.829562D+02 -0.127772D+01
      3   0.197897D+01 -0.127772D+01  0.729353D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.210185D+01  0.205863D+01  0.772870D+01
      2   0.115223D+02  0.251338D+01 -0.270675D+02
      3  -0.104430D+02  0.121758D+02 -0.235390D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.752202D+02  0.120488D+02  0.221648D+02
      2   0.414606D+02 -0.862198D+01 -0.161925D+02
      3   0.337597D+02 -0.342686D+01 -0.597233D+01
      4  -0.111844D+02 -0.247245D+02  0.129428D+02
      5   0.156897D+02  0.101402D+02 -0.513400D+02
      6   0.121583D+02 -0.133525D+02 -0.213777D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.528017D+01  0.160304D+01 -0.427197D+01  0.116062D+01 -0.358747D+01
      2   0.160304D+01 -0.359584D+01 -0.677917D+00 -0.358747D+01  0.169108D+01
      3  -0.427197D+01 -0.677917D+00  0.226290D+00 -0.423451D+00 -0.300606D+01
                 6             7             8             9            10 
      1  -0.423451D+00 -0.314688D+01 -0.525935D+00 -0.207435D+00 -0.475317D+01
      2  -0.300606D+01 -0.525935D+00 -0.209385D+01 -0.236798D+01 -0.141701D+00
      3  -0.188632D+01 -0.207435D+00 -0.236798D+01  0.258450D+01  0.324204D+01
                11            12            13            14            15 
      1  -0.141701D+00  0.324204D+01  0.118187D+01  0.464390D+01  0.859302D+00
      2   0.386990D+01  0.884145D+00  0.464390D+01  0.169442D+01  0.316247D+01
      3   0.884145D+00  0.340356D+00  0.859302D+00  0.316247D+01  0.294067D+01
                16            17            18            19            20 
      1   0.486705D+01  0.108719D+01  0.351269D+00  0.451486D+01 -0.642113D-01
      2   0.108719D+01  0.312911D+01  0.374614D+01 -0.642113D-01 -0.199284D+01
      3   0.351269D+00  0.374614D+01 -0.368457D+01 -0.190126D+01 -0.127086D+01
                21            22            23            24            25 
      1  -0.190126D+01  0.159977D+00 -0.279245D+01 -0.110760D+01 -0.250465D+01
      2  -0.127086D+01 -0.279245D+01  0.216024D+00  0.220904D+00 -0.141468D+01
      3   0.516129D+00 -0.110760D+01  0.220904D+00 -0.255119D+01  0.102967D+01
                26            27            28            29            30 
      1  -0.141468D+01  0.102967D+01  0.207764D+00  0.108549D+01 -0.109639D-01
      2  -0.823745D+00 -0.321558D+01  0.108549D+01  0.269173D+01  0.137392D+01
      3  -0.321558D+01  0.443784D+01 -0.109639D-01  0.137392D+01  0.384190D+00
                31            32            33            34            35 
      1  -0.111749D+01  0.225142D-01  0.979017D+00 -0.115279D+01  0.149847D+01
      2   0.225142D-01 -0.637178D+01  0.115244D+01  0.149847D+01  0.254964D+01
      3   0.979017D+00  0.115244D+01  0.816476D+00 -0.366364D+00  0.158109D+01
                36            37            38            39            40 
      1  -0.366364D+00  0.546283D+01 -0.101836D+01  0.210491D+01  0.534237D+00
      2   0.158109D+01 -0.101836D+01  0.160887D+00 -0.125989D+00  0.198253D+01
      3  -0.247824D+00  0.210491D+01 -0.125989D+00  0.126759D+01  0.118806D+01
                41            42            43            44            45 
      1   0.198253D+01  0.118806D+01  0.283280D+01 -0.126881D+00  0.234634D+01
      2   0.453138D+01  0.207080D+01 -0.126881D+00  0.346635D+00 -0.685576D+00
      3   0.207080D+01  0.111940D+01  0.234634D+01 -0.685576D+00  0.343705D+01
                46            47            48            49            50 
      1   0.606863D+01  0.255487D+00 -0.297825D+01  0.103381D+01 -0.332173D+01
      2   0.255487D+00 -0.333146D+01 -0.356393D+00 -0.332173D+01 -0.822652D+00
      3  -0.297825D+01 -0.356393D+00  0.325626D+00 -0.617742D+00 -0.196023D+01
                51            52            53            54            55 
      1  -0.617742D+00 -0.374860D+01 -0.374257D+00  0.114203D+01  0.670305D+00
      2  -0.196023D+01 -0.374257D+00 -0.166717D+01 -0.300879D+01  0.956447D+00
      3  -0.210374D+01  0.114203D+01 -0.300879D+01  0.636439D+01  0.205322D+01
                56            57            58            59            60 
      1   0.956447D+00  0.205322D+01  0.582689D+00  0.352485D+01  0.966330D-01
      2   0.394823D+01  0.292134D+00  0.352485D+01  0.883208D+00  0.109835D+01
      3   0.292134D+00 -0.191846D+01  0.966330D-01  0.109835D+01  0.758102D+00
                61            62            63            64            65 
      1   0.311071D+01 -0.114158D+01 -0.255717D+01 -0.117517D+01  0.276360D+01
      2  -0.114158D+01  0.231662D+01  0.113463D+01  0.276360D+01  0.122503D+00
      3  -0.255717D+01  0.113463D+01  0.196429D+01 -0.482285D+00 -0.529116D+00
                66            67            68            69            70 
      1  -0.482285D+00  0.421401D+01  0.128804D+01 -0.787012D-01 -0.258236D+00
      2  -0.529116D+00  0.128804D+01  0.135844D+02 -0.132011D+01 -0.581943D+00
      3  -0.295494D+00 -0.787012D-01 -0.132011D+01  0.202691D+01  0.264947D+00
                71            72            73            74            75 
      1  -0.581943D+00  0.264947D+00 -0.128140D+01  0.508677D+00 -0.902126D+00
      2  -0.949574D+00  0.257493D+01  0.508677D+00 -0.106291D+00  0.166867D+00
      3   0.257493D+01 -0.856855D+00 -0.902126D+00  0.166867D+00 -0.417223D+00
                76            77            78            79            80 
      1   0.716604D+00  0.697337D-01  0.156146D+00 -0.131651D+01  0.544598D+00
      2   0.697337D-01  0.129430D+01 -0.166785D+01  0.544598D+00 -0.199790D+01
      3   0.156146D+00 -0.166785D+01  0.208376D+01 -0.159855D+00  0.185005D+01
                81            82            83            84            85 
      1  -0.159855D+00 -0.232091D+01 -0.169028D+01 -0.170695D+01 -0.259127D+01
      2   0.185005D+01 -0.169028D+01 -0.237399D+01 -0.817900D+00 -0.266187D+01
      3  -0.788230D+01 -0.170695D+01 -0.817900D+00 -0.135173D+01 -0.852526D+00
                86            87            88            89            90 
      1  -0.266187D+01 -0.852526D+00 -0.244633D+01 -0.889873D+00 -0.129556D+01
      2  -0.525561D+01 -0.222711D+01 -0.889873D+00 -0.249195D+01 -0.222738D+01
      3  -0.222711D+01 -0.224469D+01 -0.129556D+01 -0.222738D+01 -0.198745D+01
                91            92            93            94            95 
      1   0.128959D+01 -0.874977D+00  0.940540D-01 -0.260109D+01 -0.106194D+00
      2  -0.874977D+00 -0.116439D+00 -0.608433D+00 -0.106194D+00 -0.555933D+01
      3   0.940540D-01 -0.608433D+00  0.127711D+00 -0.187240D+01 -0.628627D+00
                96            97            98            99           100 
      1  -0.187240D+01  0.845269D-01 -0.671555D+00  0.851688D-01 -0.235709D+01
      2  -0.628627D+00 -0.671555D+00 -0.347974D+00 -0.100001D+01 -0.197097D+01
      3  -0.249021D+01  0.851688D-01 -0.100001D+01  0.847023D+00 -0.363995D-01
               101           102           103           104           105 
      1  -0.197097D+01 -0.363995D-01 -0.219962D+01 -0.220302D+01 -0.301195D+00
      2  -0.455383D+01 -0.807275D+00 -0.220302D+01 -0.724987D+01 -0.137266D+01
      3  -0.807275D+00 -0.668522D+00 -0.301195D+00 -0.137266D+01 -0.127846D+01
               106           107           108           109           110 
      1   0.226343D+00  0.385236D-01  0.864619D-01  0.379014D+01 -0.182672D+01
      2   0.385236D-01 -0.527187D+00 -0.809031D+00 -0.182672D+01  0.176593D+01
      3   0.864619D-01 -0.809031D+00 -0.271824D+00 -0.249024D+01  0.133394D+01
               111           112           113           114           115 
      1  -0.249024D+01 -0.734727D+00  0.107102D+01  0.617018D+00 -0.318609D+01
      2   0.133394D+01  0.107102D+01 -0.160634D+01 -0.122878D+01  0.161655D+01
      3   0.313315D+01  0.617018D+00 -0.122878D+01 -0.103601D+01  0.311178D+01
               116           117           118           119           120 
      1   0.161655D+01  0.311178D+01 -0.101843D+02  0.141482D+01  0.165912D+01
      2  -0.213339D+01 -0.219807D+01  0.141482D+01 -0.114142D+01 -0.408888D-02
      3  -0.219807D+01 -0.390557D+01  0.165912D+01 -0.408888D-02 -0.152667D+01
               121           122           123           124           125 
      1  -0.631442D+00 -0.737400D+00  0.674237D-01  0.296918D+01 -0.509079D+00
      2  -0.737400D+00  0.166411D+00  0.503510D+00 -0.509079D+00  0.799321D+00
      3   0.674237D-01  0.503510D+00 -0.776908D-01 -0.164269D+01  0.395700D+00
               126           127           128           129           130 
      1  -0.164269D+01  0.135096D+01  0.700203D+00  0.776711D+00  0.158593D+01
      2   0.395700D+00  0.700203D+00  0.189109D+01  0.393468D+00  0.640109D+00
      3   0.483452D+00  0.776711D+00  0.393468D+00  0.743606D+00  0.377965D+00
               131           132           133           134           135 
      1   0.640109D+00  0.377965D+00  0.130146D+01  0.874291D-01  0.177154D+00
      2   0.530585D+01  0.130223D+01  0.874291D-01  0.226285D+01  0.153726D+01
      3   0.130223D+01  0.158389D+01  0.177154D+00  0.153726D+01  0.706830D+00
               136           137           138           139           140 
      1  -0.110025D+01  0.370165D+00 -0.914190D+00  0.135783D+00 -0.104354D+00
      2   0.370165D+00  0.193310D+00  0.184758D+00 -0.104354D+00  0.124363D+01
      3  -0.914190D+00  0.184758D+00 -0.587911D+00  0.379896D+00 -0.126834D+01
               141           142           143           144           145 
      1   0.379896D+00 -0.173398D+01  0.879661D+00 -0.166046D+01 -0.779399D+01
      2  -0.126834D+01  0.879661D+00 -0.199827D+01  0.254900D+01 -0.120985D+01
      3   0.144625D+01 -0.166046D+01  0.254900D+01 -0.836816D+01  0.372126D+01
               146           147           148           149           150 
      1  -0.120985D+01  0.372126D+01 -0.920181D+00 -0.822008D+00  0.427702D+00
      2  -0.105614D+01  0.805804D+00 -0.822008D+00 -0.814142D+00  0.940467D+00
      3   0.805804D+00 -0.324624D+01  0.427702D+00  0.940467D+00 -0.137020D+00
               151           152           153           154           155 
      1   0.233575D+01  0.420576D+00 -0.214634D+01  0.127878D+01 -0.162866D+01
      2   0.420576D+00  0.612025D+00 -0.248202D+00 -0.162866D+01  0.226931D+01
      3  -0.214634D+01 -0.248202D+00  0.201973D+01  0.897625D+00 -0.779462D+00
               156           157           158           159           160 
      1   0.897625D+00 -0.188010D+01  0.192375D+01 -0.317318D+00  0.652300D+00
      2  -0.779462D+00  0.192375D+01 -0.564265D+01  0.233073D+01 -0.385772D+00
      3   0.140196D+01 -0.317318D+00  0.233073D+01 -0.217488D+01  0.720243D+00
               161           162           163           164           165 
      1  -0.385772D+00  0.720243D+00  0.105224D+01  0.767798D+00  0.114567D+01
      2   0.141920D+01 -0.119747D+01  0.767798D+00  0.135536D+01  0.542393D+00
      3  -0.119747D+01  0.107914D+01  0.114567D+01  0.542393D+00  0.154564D+01
               166           167           168           169           170 
      1   0.137039D+01  0.117005D+01  0.421770D+00  0.111392D+01  0.448554D+00
      2   0.117005D+01  0.271172D+01  0.189786D+01  0.448554D+00  0.159560D+01
      3   0.421770D+00  0.189786D+01  0.320475D+01  0.720794D+00  0.158928D+01
               171 
      1   0.720794D+00
      2   0.158928D+01
      3   0.328030D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.611329D+00 -0.757663D+01 -0.947850D+00 -0.667979D+01  0.221219D+01
      2  -0.230468D+01 -0.275689D+01  0.111713D+02 -0.211499D+01  0.110120D+02
      3  -0.199487D+01 -0.873092D+01  0.242728D+01 -0.456655D+01  0.495800D+01
                 6             7             8             9            10 
      1  -0.105612D+02 -0.102087D+01 -0.411185D+01 -0.386699D+00  0.183860D+01
      2   0.361408D+01  0.430403D+01  0.418422D+01 -0.405802D+01 -0.829088D+01
      3  -0.402372D+01  0.161249D+01 -0.244716D+01 -0.328358D+01  0.212789D+01
                11            12            13            14            15 
      1   0.545411D-01  0.472104D-01 -0.321631D-01  0.339366D+00 -0.336986D+01
      2  -0.229961D+01  0.389675D+01  0.197450D+01 -0.245541D+01 -0.330729D+01
      3   0.362004D+01  0.195433D+01  0.929757D+01 -0.996646D+00  0.369005D+01
                16            17            18            19            20 
      1  -0.158329D+01  0.230236D+01 -0.188454D+01 -0.223068D+01  0.149190D+01
      2  -0.117515D+01 -0.237996D+01  0.502941D+01  0.165352D+01  0.704596D+00
      3  -0.161500D+01  0.279683D+01  0.431873D+01 -0.835699D+00 -0.366598D+01
                21            22            23            24            25 
      1  -0.121367D+01  0.424191D+01 -0.316311D+00  0.625779D+00  0.269514D+01
      2  -0.106375D+01 -0.794920D+00 -0.212913D+01  0.238948D+01 -0.766770D+01
      3  -0.393048D-01  0.356134D+01 -0.310936D+00 -0.286043D+01  0.136855D+01
                26            27            28            29            30 
      1   0.413853D+01  0.259372D+01 -0.116299D+01 -0.449391D+01  0.822896D+00
      2  -0.156445D+01  0.308652D+01  0.119470D+02  0.433975D+01  0.241047D+01
      3  -0.655710D+00  0.154964D+00 -0.332440D+01 -0.800958D+01 -0.284940D+01
                31            32            33            34            35 
      1  -0.363936D+01  0.649632D+00  0.692879D+01  0.285800D+01  0.699419D+01
      2  -0.113772D+01  0.131810D+01 -0.465429D+00 -0.951426D+01 -0.223921D+01
      3  -0.597438D+01  0.900642D+01  0.240034D+01 -0.791959D+00  0.357751D+01
                36            37            38            39            40 
      1  -0.147451D+01 -0.887012D+00  0.372546D+01  0.548152D+00  0.297370D+01
      2  -0.921487D+01 -0.164844D+01 -0.153301D+01  0.518433D+01  0.243261D+00
      3  -0.494514D+00  0.238883D+01 -0.674007D+01  0.971051D+00 -0.182251D+01
                41            42            43            44            45 
      1   0.942616D+01  0.409436D+00 -0.111013D+01  0.493024D+01 -0.440748D+00
      2   0.360198D+01  0.330608D+01  0.255691D+01  0.902871D+00  0.905967D+01
      3  -0.148775D+02 -0.640621D+01 -0.164048D+01 -0.546579D+01  0.893397D+00
                46            47            48            49            50 
      1   0.322080D+01  0.269979D+01 -0.432771D+00  0.243601D+01  0.221850D+01
      2   0.104967D+02  0.116411D+01 -0.730396D+00  0.144456D+01  0.277119D+01
      3   0.825936D+01 -0.121492D+02 -0.467363D+01 -0.504113D+01 -0.667182D+01
                51            52            53            54            55 
      1   0.188557D+01 -0.255091D+01  0.739721D+01 -0.760705D+01  0.434008D+01
      2   0.474990D+01 -0.732211D+01  0.714430D+01 -0.139769D+02  0.320316D+01
      3  -0.547691D+01 -0.514593D+01 -0.494927D+01 -0.568324D+01 -0.378933D+01
                56            57            58            59            60 
      1  -0.372009D+01 -0.341335D+01 -0.340968D+01  0.349899D+01 -0.356199D+01
      2  -0.765110D+00  0.220225D+01 -0.776711D+00  0.435831D+01 -0.110397D+01
      3  -0.130598D+02 -0.499501D+01 -0.249384D+01 -0.825568D+01 -0.156810D+01
                61            62            63            64            65 
      1  -0.600125D+01  0.605675D+01  0.402885D+01  0.134366D+01  0.764511D+00
      2  -0.530812D+01  0.145345D+01  0.186605D+01 -0.359462D+01 -0.180000D+01
      3  -0.362712D+01 -0.695189D+00  0.451425D+01 -0.477259D+01  0.118971D+00
                66            67            68            69            70 
      1  -0.887175D+00 -0.109927D+01 -0.135882D+01 -0.129028D+02 -0.892865D+00
      2   0.154429D+01  0.379571D+01 -0.184897D+00  0.229040D+01 -0.140619D+01
      3   0.102253D+01  0.138821D+02 -0.157411D+02  0.145358D+01  0.111063D+01
                71            72            73            74            75 
      1  -0.254739D-02  0.571044D+00 -0.677331D+00  0.559678D+00 -0.164049D+00
      2   0.478087D+01  0.120347D+01 -0.139081D+01  0.686753D+00 -0.694813D-02
      3  -0.413261D+00 -0.432962D+01  0.308606D+00 -0.443711D+00  0.542578D+00
                76            77            78            79            80 
      1  -0.161812D+00 -0.219540D+01  0.356376D+00 -0.105843D+01  0.476187D+01
      2   0.156980D+01 -0.693630D+00 -0.153830D+00 -0.368726D+01  0.892735D+00
      3   0.179034D+01 -0.294366D-01  0.949428D+00 -0.371819D+00  0.161332D+00
                81            82            83            84            85 
      1  -0.142374D+01 -0.467625D+00  0.625858D+00 -0.131124D+01  0.504755D+00
      2   0.422098D-01  0.884045D+00  0.520979D+00  0.249780D+01 -0.181880D+01
      3  -0.476749D+00 -0.342975D+00 -0.442113D+01 -0.283423D+00  0.133805D+01
                86            87            88            89            90 
      1   0.112082D+01 -0.247236D+01 -0.290624D+00  0.151469D+01 -0.631916D+00
      2   0.121635D+01  0.354793D+01 -0.174697D+01  0.226081D+01  0.216021D+01
      3  -0.655026D+01 -0.300124D+01  0.183451D+01 -0.332205D+01 -0.245274D+01
                91            92            93            94            95 
      1  -0.127009D+00 -0.244490D+01  0.201421D+00 -0.260295D+01 -0.113696D+02
      2   0.208994D+01  0.514633D-01  0.801769D-01 -0.107505D+01 -0.191960D+01
      3   0.158635D+00  0.111956D+01  0.946992D+00  0.286082D+01  0.183491D+02
                96            97            98            99           100 
      1  -0.378440D+01 -0.662756D+00 -0.952994D+00  0.113339D+01  0.103109D+01
      2  -0.547267D+01 -0.872061D+00 -0.263276D+01  0.181363D-01 -0.193773D+01
      3   0.451036D+01  0.698913D+00  0.337143D+01  0.257095D+01  0.946811D+01
               101           102           103           104           105 
      1   0.210044D+01 -0.213509D+01  0.395153D+00  0.282801D+01 -0.299672D+01
      2  -0.855418D+00  0.745871D+00 -0.165362D+01 -0.177035D+01 -0.149771D+00
      3   0.680788D+01  0.486031D+00  0.832862D+01  0.107405D+02  0.243394D+01
               106           107           108           109           110 
      1   0.317919D+00 -0.916458D-01  0.612491D+00 -0.369666D+01  0.133320D+01
      2   0.150006D+00 -0.182658D+00  0.398543D+00  0.408360D+00  0.595298D+00
      3  -0.835396D+00  0.299509D+00  0.195906D+00 -0.554892D+01  0.936971D+00
               111           112           113           114           115 
      1   0.658162D+01  0.531816D+00 -0.108361D+01 -0.197716D+01  0.501262D+01
      2   0.318453D+01 -0.429321D-01 -0.317458D+00 -0.957747D+00 -0.410787D+00
      3   0.346525D+01  0.149768D+01  0.232064D+00 -0.184239D+00  0.506274D+01
               116           117           118           119           120 
      1  -0.151248D+01 -0.636745D+01 -0.266974D+01  0.705632D-01  0.204409D+01
      2  -0.139079D+01 -0.303200D+01 -0.846590D+01  0.469786D+00  0.739873D+01
      3  -0.257745D+00 -0.417768D+01 -0.857819D+01 -0.423271D+01  0.223235D+01
               121           122           123           124           125 
      1   0.439446D+00 -0.592395D+00 -0.924120D+00  0.156771D+01  0.256721D+00
      2  -0.119274D+00 -0.174007D+01  0.321287D+00  0.423900D+01 -0.869532D+00
      3  -0.113955D+01 -0.596626D+00  0.140336D+01  0.231125D+01  0.237703D+01
               126           127           128           129           130 
      1  -0.846655D+00 -0.141804D+01 -0.108954D+01 -0.164409D+01 -0.116193D+01
      2  -0.255709D+01 -0.158974D+01 -0.553253D+00 -0.820367D+00 -0.668804D+00
      3  -0.583726D+00  0.645122D+01  0.572157D+01  0.239625D+01  0.739949D+01
               131           132           133           134           135 
      1  -0.376593D+01 -0.463263D+01 -0.403859D+00 -0.157541D+01 -0.207342D+01
      2  -0.268583D+01 -0.298499D+01 -0.146755D+01 -0.293767D+01 -0.133860D+01
      3   0.134283D+02  0.428198D+01  0.278651D+01  0.541021D+01  0.378840D+01
               136           137           138           139           140 
      1   0.632506D+00 -0.443229D+00  0.573540D+00 -0.512976D+00  0.208442D+00
      2   0.132860D+01 -0.574179D+00  0.175725D+01 -0.410519D+00  0.254673D+01
      3   0.114207D-01  0.177572D+00 -0.977772D-01  0.139439D+01  0.275022D+01
               141           142           143           144           145 
      1  -0.205489D+01  0.725856D+00  0.130180D+01  0.859080D+01  0.113135D+01
      2  -0.318866D+01 -0.744596D+00 -0.445904D+01  0.176812D+02  0.815604D+01
      3  -0.230837D+01 -0.437140D+00 -0.406287D+01  0.452059D+01  0.498703D+01
               146           147           148           149           150 
      1  -0.208896D+01 -0.166005D+01 -0.434858D+00 -0.275673D+00  0.201465D+00
      2   0.391453D+00  0.181597D+01  0.986988D+00 -0.630328D+00 -0.312567D+00
      3  -0.301652D+01 -0.140542D+01  0.571505D+00 -0.717756D+00  0.956771D+00
               151           152           153           154           155 
      1  -0.100210D+01  0.198356D+01  0.115060D+01 -0.229044D+01  0.446351D+01
      2  -0.259496D+01 -0.621787D+00 -0.131419D+00 -0.501888D+01  0.411250D+01
      3  -0.135893D+01  0.127662D+01  0.147430D+01 -0.463172D+01  0.377572D+01
               156           157           158           159           160 
      1   0.131118D+01  0.413818D+01 -0.817169D+01 -0.103776D+01  0.267546D+00
      2  -0.178784D+01  0.500034D+01 -0.711091D+01  0.265290D+01 -0.309496D+01
      3  -0.138088D+01  0.687972D+01 -0.864959D+01  0.269388D+01 -0.129505D+01
               161           162           163           164           165 
      1   0.231427D+01 -0.735880D+00  0.270079D+01  0.396780D+01  0.167922D+01
      2   0.229548D+01 -0.206881D+01 -0.493743D+01 -0.253808D+01 -0.301239D+01
      3   0.182302D+01 -0.245714D+01  0.948459D+00  0.713223D+00 -0.811372D-01
               166           167           168           169           170 
      1   0.308555D+01  0.726618D+01  0.340051D+01  0.184145D+01  0.577285D+01
      2  -0.440181D+01 -0.518706D+01 -0.477513D+01 -0.472364D+01 -0.334570D+01
      3   0.272269D+01  0.264159D+01  0.204387D+01  0.333226D+00  0.117556D+01
               171 
      1   0.455305D+01
      2  -0.515602D+01
      3   0.150749D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.140354D+02 -0.827377D+01  0.181740D+02 -0.752655D+01  0.192091D+02
      2   0.135780D+02  0.125490D+02 -0.917303D+01  0.112246D+02 -0.916607D+01
      3   0.457361D+00 -0.427525D+01 -0.900098D+01 -0.369804D+01 -0.100431D+02
      4  -0.110707D+02  0.498211D+01  0.741120D+01  0.631618D+01  0.148602D+01
      5   0.256861D+02  0.525318D+01 -0.122660D+02  0.318261D+01 -0.145475D+01
      6   0.884614D+01 -0.951101D+01 -0.349446D+01 -0.875324D+01  0.639966D+01
                 6             7             8             9            10 
      1   0.415290D+01  0.130946D+02  0.396333D+01 -0.717396D+01  0.104330D+02
      2   0.886833D+01 -0.650387D+01  0.672618D+01 -0.134842D+01 -0.124939D+02
      3  -0.130212D+02 -0.659076D+01 -0.106895D+02  0.852237D+01  0.206093D+01
      4   0.567891D+01  0.609498D+01  0.408410D+01  0.554689D+01 -0.525843D+01
      5   0.147922D+01 -0.948302D+01  0.356955D+01 -0.522934D+01 -0.119105D+02
      6  -0.761751D+01 -0.208194D+01 -0.548317D+01 -0.769072D+01 -0.590421D+01
                11            12            13            14            15 
      1   0.776104D-01 -0.950029D+01  0.323756D+01 -0.109145D+02 -0.171424D+01
      2  -0.105626D+01  0.393384D+01 -0.259147D+01 -0.638898D+00 -0.397127D+01
      3   0.978646D+00  0.556644D+01 -0.646087D+00  0.115534D+02  0.568551D+01
      4  -0.154352D+02 -0.529898D+01 -0.152181D+02 -0.931145D+01 -0.117390D+02
      5  -0.313360D+01 -0.129380D+01 -0.936072D+00 -0.132459D+02 -0.772880D+01
      6  -0.513168D+01 -0.860127D+00 -0.562707D+01 -0.543144D+01 -0.293467D+01
                16            17            18            19            20 
      1  -0.109708D+02 -0.122135D+01  0.250440D+01 -0.776197D+01 -0.713557D+01
      2   0.426398D+01 -0.199469D+01 -0.265078D+01  0.834711D+01  0.907787D+01
      3   0.670686D+01  0.321605D+01  0.146385D+00 -0.585134D+00 -0.194230D+01
      4  -0.279550D+01 -0.934141D+01 -0.112860D+02  0.631224D+01  0.782857D+00
      5  -0.241224D+01 -0.104297D+02  0.807088D+01  0.129181D+01 -0.111070D+01
      6  -0.208976D+01 -0.539088D+01 -0.604230D+00  0.458466D+01  0.512211D+01
                21            22            23            24            25 
      1  -0.124224D-01 -0.388101D+01  0.315437D+01 -0.402938D+01  0.453517D+01
      2   0.323552D+00  0.389949D+01  0.779089D+00 -0.490083D+01  0.694972D-01
      3  -0.311130D+00 -0.184849D-01 -0.393346D+01  0.893021D+01 -0.460467D+01
      4   0.889066D+00 -0.379028D+01  0.103219D+02  0.145917D+01 -0.436027D+00
      5  -0.131785D+01 -0.163739D+01  0.302645D+01  0.506289D+01  0.228966D+01
      6   0.396420D+01  0.130669D+01  0.434815D+00 -0.744545D+01 -0.464490D+00
                26            27            28            29            30 
      1  -0.708311D+01  0.795023D+01 -0.569773D+01  0.284041D+01 -0.801029D+00
      2   0.821983D-01  0.135822D+02  0.201498D+01 -0.300890D+01  0.738044D+01
      3   0.700091D+01 -0.215325D+02  0.368274D+01  0.168484D+00 -0.657941D+01
      4   0.339731D+01 -0.250591D+01  0.383908D+01  0.303855D+01  0.198500D+01
      5  -0.720428D+00 -0.121285D+01 -0.748919D+01  0.430525D+01 -0.204038D+01
      6   0.284376D+01  0.663492D+01 -0.150695D+01 -0.302158D+01  0.166702D+01
                31            32            33            34            35 
      1   0.764390D+01  0.190161D+02  0.138364D+01 -0.120148D+02  0.679989D+01
      2  -0.850967D+01 -0.357836D+02 -0.186941D+01  0.982071D+01 -0.230380D+01
      3   0.865763D+00  0.167675D+02  0.485774D+00  0.219414D+01 -0.449610D+01
      4  -0.158471D+02 -0.193182D+02  0.343173D+01  0.443603D+01 -0.346342D+00
      5   0.691847D+01  0.610211D+01 -0.297691D+00  0.781197D-02  0.215174D+01
      6   0.706566D+00  0.270997D+01 -0.110112D+02 -0.736159D+00  0.855654D+00
                36            37            38            39            40 
      1  -0.131340D+01  0.359480D+02 -0.231062D+01  0.773265D+01  0.269324D+01
      2  -0.180685D+01 -0.237438D+02  0.191994D+01 -0.995199D+01 -0.177774D+01
      3   0.312025D+01 -0.122042D+02  0.390681D+00  0.221933D+01 -0.915501D+00
      4   0.154757D+01 -0.280596D+01  0.807209D+01 -0.149009D+00  0.132767D+02
      5  -0.863774D+01  0.146391D+02 -0.173663D+01  0.143449D+02  0.256651D+01
      6  -0.121803D+01  0.468331D+00  0.138813D+01 -0.241857D+01  0.326429D+00
                41            42            43            44            45 
      1   0.655962D+01  0.465467D+01  0.113311D+02 -0.897170D+00  0.338618D+01
      2  -0.255475D+01 -0.389366D+01 -0.114382D+02  0.130746D+01 -0.155758D+02
      3  -0.400488D+01 -0.761014D+00  0.107171D+00 -0.410294D+00  0.121896D+02
      4   0.115617D+02  0.591538D+01 -0.295102D+01  0.384821D+01 -0.108071D+01
      5   0.624802D+01  0.306968D+01  0.162515D+02 -0.225597D+01  0.180621D+02
      6  -0.231666D+01  0.495854D+01  0.186831D+00  0.485974D+01 -0.134165D+00
                46            47            48            49            50 
      1  -0.394237D+02  0.565694D+01  0.175749D+02 -0.232116D+01  0.162427D+02
      2   0.211242D+02 -0.102837D+02 -0.100745D+02 -0.545575D+01 -0.965401D+01
      3   0.182995D+02  0.462675D+01 -0.750040D+01  0.777691D+01 -0.658867D+01
      4   0.560322D+01  0.122785D+02 -0.215393D+01  0.129749D+02 -0.303331D+01
      5   0.132323D+02  0.497337D+00 -0.606782D+00  0.773653D+00  0.982360D+01
      6  -0.498428D+01  0.523130D-01  0.334707D+00  0.890646D+00 -0.466693D+01
                51            52            53            54            55 
      1   0.309192D+01  0.218801D+02  0.152615D+01  0.409717D+01  0.109168D+02
      2  -0.904169D+01 -0.101785D+02 -0.872618D+01  0.673827D+01 -0.572371D+01
      3   0.594977D+01 -0.117016D+02  0.720003D+01 -0.108354D+02 -0.519309D+01
      4   0.610604D+01 -0.233226D+01  0.445102D+01  0.101656D+02 -0.303678D+01
      5   0.927287D+01 -0.406738D+01  0.111593D+02 -0.268297D+02  0.574683D+01
      6  -0.391628D+01  0.186975D+01 -0.398353D+01  0.126439D+02 -0.892645D+01
                56            57            58            59            60 
      1   0.133678D+02  0.273679D+01  0.892147D+01  0.469653D+01  0.296408D+01
      2  -0.223102D+02 -0.627830D+01 -0.157309D+02 -0.304591D+00 -0.395453D+01
      3   0.894246D+01  0.354151D+01  0.680938D+01 -0.439194D+01  0.990451D+00
      4   0.176713D+01 -0.532016D+01  0.538802D+01 -0.172731D+02  0.242126D+01
      5  -0.372853D+01 -0.154720D+01 -0.238827D+01 -0.207722D+01 -0.344340D+00
      6  -0.300359D+01  0.589964D+01 -0.110286D+01 -0.717569D+01  0.329271D+01
                61            62            63            64            65 
      1  -0.633119D+00  0.386048D+01 -0.345416D+01  0.327871D+01  0.653168D+01
      2  -0.285232D+01 -0.622856D+01 -0.991895D+00  0.453648D+01 -0.265990D+01
      3   0.348544D+01  0.236808D+01  0.444605D+01 -0.781520D+01 -0.387178D+01
      4  -0.741265D+01  0.633035D+01  0.101132D+02  0.631619D+01  0.153511D+02
      5  -0.680869D+01  0.544483D+01  0.971758D+01 -0.129111D+01 -0.241865D+01
      6   0.118845D+02 -0.446846D+01 -0.792777D+01 -0.909724D+00 -0.138082D+01
                66            67            68            69            70 
      1   0.301186D+00  0.273596D+01 -0.355697D+02  0.199510D+01  0.708524D+00
      2  -0.135676D+01  0.279457D+01  0.660470D+02 -0.172053D+01 -0.209397D+01
      3   0.105558D+01 -0.553053D+01 -0.304773D+02 -0.274577D+00  0.138545D+01
      4  -0.203706D+01  0.224855D+02  0.335845D+02 -0.355559D+01 -0.221945D+01
      5   0.429888D+01 -0.188836D+01 -0.716868D+01  0.692873D+01  0.453337D+01
      6   0.993625D+00 -0.203948D+01 -0.374672D+01  0.180732D+02  0.186549D+01
                71            72            73            74            75 
      1  -0.455140D+00 -0.743083D+01  0.565124D+00  0.387599D+00 -0.670492D+00
      2  -0.125363D+01  0.618033D+01 -0.508309D+01  0.192517D+00 -0.981716D+00
      3   0.170877D+01  0.125050D+01  0.451796D+01 -0.580116D+00  0.165221D+01
      4  -0.211121D+01  0.646435D+01  0.550175D-01  0.126871D+01 -0.814868D+00
      5   0.720835D+01 -0.239822D+01  0.996787D+00 -0.172254D+01  0.644578D+01
      6   0.153234D+02 -0.225269D+01 -0.213948D+01  0.315636D-02 -0.108856D+00
                76            77            78            79            80 
      1   0.333312D+00 -0.414324D+01  0.479703D+01 -0.426040D+00  0.342485D+01
      2   0.893219D+00 -0.165168D+01  0.432300D+01 -0.196422D+01  0.511733D+01
      3  -0.122653D+01  0.579492D+01 -0.912003D+01  0.239026D+01 -0.854218D+01
      4   0.197507D+01  0.805391D+00 -0.140968D+00 -0.175479D+00 -0.200791D+01
      5  -0.109730D+01  0.272191D+00 -0.199348D+00  0.494661D+01  0.530157D-01
      6   0.939055D+00 -0.453206D+01  0.851169D+01 -0.118023D+01  0.635687D+01
                81            82            83            84            85 
      1  -0.185852D+02  0.103074D+02  0.532295D+01  0.522476D+01  0.448927D+01
      2  -0.190856D+02 -0.256393D+01 -0.476527D+00 -0.204664D+01  0.161225D+01
      3   0.376707D+02 -0.774345D+01 -0.484642D+01 -0.317812D+01 -0.610152D+01
      4   0.834694D+00  0.127643D+02  0.144977D+02  0.610050D+01  0.151367D+02
      5   0.161948D-01  0.867082D+01  0.531662D+01  0.797512D+01  0.548470D+01
      6  -0.597548D+01  0.449169D+01  0.396201D+01  0.372813D+01  0.467026D+01
                86            87            88            89            90 
      1  -0.499457D+00  0.177507D+00  0.448200D+01 -0.105882D+01 -0.446591D+00
      2   0.108821D+02  0.362868D+01 -0.244082D+01  0.196403D+01 -0.126691D+01
      3  -0.103826D+02 -0.380618D+01 -0.204118D+01 -0.905209D+00  0.171350D+01
      4   0.217872D+02  0.931992D+01  0.572081D+01  0.927365D+01  0.920761D+01
      5   0.873251D+01  0.792032D+01  0.863727D+01  0.839116D+01  0.865570D+01
      6   0.106510D+02  0.852731D+01  0.423159D+01  0.947076D+01  0.803365D+01
                91            92            93            94            95 
      1   0.339959D+01 -0.359778D+01  0.151120D+00 -0.115371D+02 -0.334954D+01
      2  -0.600394D+00  0.108936D+01  0.160221D+01  0.705853D+01  0.319310D+01
      3  -0.279919D+01  0.250842D+01 -0.175333D+01  0.447862D+01  0.156437D+00
      4  -0.552558D+01  0.130196D+01 -0.216215D+01  0.155518D+01 -0.173187D+02
      5  -0.254157D+00 -0.218183D+01  0.282178D-01 -0.794536D+01 -0.973840D+00
      6  -0.867096D+00  0.193766D+01 -0.992910D+00  0.368196D+01 -0.185671D+01
                96            97            98            99           100 
      1  -0.549776D+01 -0.252603D+01 -0.111589D+01 -0.158660D+01 -0.543308D+01
      2   0.622428D+01  0.179692D+01  0.568147D+00  0.148694D+01  0.926612D+01
      3  -0.726527D+00  0.729115D+00  0.547744D+00  0.996650D-01 -0.383305D+01
      4   0.429194D+00 -0.322545D+01 -0.427640D-01 -0.325215D+01  0.802292D+01
      5  -0.855616D+01  0.818552D+00 -0.320528D+01  0.124519D+01  0.334562D+01
      6   0.324229D+01 -0.136840D+00  0.294672D+01 -0.316719D+01  0.256238D+01
               101           102           103           104           105 
      1  -0.131379D+02 -0.255680D+01 -0.832873D+01 -0.227315D+02 -0.483320D+01
      2   0.200202D+02  0.211183D+01  0.118092D+02  0.344613D+02  0.452132D+01
      3  -0.688226D+01  0.444964D+00 -0.348046D+01 -0.117298D+02  0.311889D+00
      4   0.808086D+01  0.336465D+00  0.737713D+01  0.569276D+01 -0.621477D-01
      5   0.252178D+01  0.854282D+00  0.285602D+01  0.198672D+01 -0.749751D+00
      6   0.822006D+01  0.376816D+01  0.390810D+01  0.134557D+02  0.748130D+01
               106           107           108           109           110 
      1   0.101052D+01 -0.196099D+01 -0.205022D+01  0.432333D+01  0.786579D+00
      2  -0.551442D+00  0.147284D+01  0.197113D+01 -0.455303D+01 -0.147219D+01
      3  -0.459081D+00  0.488155D+00  0.790909D-01  0.229701D+00  0.685609D+00
      4   0.820509D-01 -0.351508D+00  0.412269D+00 -0.132946D+02  0.881460D+01
      5   0.234989D+01  0.192611D+00  0.643019D+00 -0.142151D+02  0.737509D+01
      6   0.742000D-01  0.601988D+01  0.225698D+01  0.115409D+02 -0.853658D+01
               111           112           113           114           115 
      1  -0.364112D+00  0.129218D+01 -0.420117D+01 -0.321626D+01  0.860399D+00
      2   0.415926D+01 -0.226435D+01  0.485185D+01  0.323685D+01  0.437808D+01
      3  -0.379515D+01  0.972167D+00 -0.650679D+00 -0.205970D-01 -0.523848D+01
      4   0.967329D+01  0.614014D+01 -0.564686D+01 -0.466292D+01  0.109045D+02
      5   0.136158D+02  0.282151D+01 -0.479054D+01 -0.327231D+01  0.148323D+02
      6  -0.131032D+02 -0.531683D+01  0.790549D+01  0.851178D+01 -0.133589D+02
               116           117           118           119           120 
      1  -0.523577D+01 -0.464427D+01  0.687706D+02 -0.648454D+01 -0.109347D+02
      2   0.268721D+01 -0.452871D+01 -0.340873D+02  0.149204D+01  0.548821D+01
      3   0.254856D+01  0.917298D+01 -0.346833D+02  0.499250D+01  0.544652D+01
      4  -0.743283D+01 -0.115164D+02 -0.176875D+02  0.106232D+02  0.219472D+01
      5  -0.786751D+01 -0.154874D+02 -0.623302D+01 -0.469038D-01  0.105922D+02
      6   0.129761D+02  0.176145D+02  0.305394D+01  0.944837D-02 -0.323402D+01
               121           122           123           124           125 
      1   0.396714D+01  0.462082D+01 -0.852730D+00 -0.177441D+02  0.193651D+01
      2  -0.364739D+01 -0.697025D+00  0.161004D+01  0.922969D+01  0.606536D+00
      3  -0.319754D+00 -0.392380D+01 -0.757314D+00  0.851437D+01 -0.254305D+01
      4   0.789451D+01 -0.121856D+01 -0.286079D+01  0.548749D+01 -0.433479D+01
      5  -0.296086D-02 -0.248754D+01  0.491301D+00  0.109078D+02 -0.189820D+01
      6  -0.423376D+00  0.921043D+00  0.128684D+01 -0.270103D+01  0.169425D+01
               126           127           128           129           130 
      1   0.795875D+01 -0.134643D+01 -0.566502D+01 -0.397384D+01 -0.757822D+01
      2  -0.595158D+01  0.291709D+01  0.696880D+01  0.286803D+01  0.635744D+01
      3  -0.200718D+01 -0.157066D+01 -0.130377D+01  0.110581D+01  0.122078D+01
      4  -0.278437D+01  0.142426D+01 -0.320738D+01  0.744405D+00  0.310332D+01
      5  -0.400918D+01 -0.279041D+01 -0.918022D+00 -0.205804D+01 -0.186092D+01
      6   0.553710D+00  0.180497D+01  0.797729D+00  0.222147D+01  0.899092D+00
               131           132           133           134           135 
      1  -0.153070D+02 -0.461869D+01 -0.609210D+01 -0.427061D+01 -0.536565D+01
      2   0.251006D+02  0.745585D+01  0.322149D+01  0.765694D+01  0.353129D+01
      3  -0.979358D+01 -0.283716D+01  0.287061D+01 -0.338633D+01  0.183435D+01
      4  -0.149857D+02 -0.333040D+01  0.265874D+01 -0.644699D+01 -0.382262D+01
      5  -0.530381D+01 -0.639904D+01  0.300355D+00 -0.536042D+01 -0.154025D+01
      6   0.441520D+01  0.620736D+01  0.676304D+00  0.626340D+01  0.316214D+01
               136           137           138           139           140 
      1   0.568735D+01 -0.215769D+01  0.344790D+01 -0.113484D+00 -0.471903D+01
      2  -0.493264D+01  0.164976D+01 -0.239267D+01  0.375304D+00  0.309563D+01
      3  -0.754702D+00  0.507933D+00 -0.105522D+01 -0.261820D+00  0.162340D+01
      4  -0.298357D+01  0.140927D+01 -0.283409D+01  0.251227D+01 -0.483687D+01
      5   0.481467D+01 -0.232607D+01  0.799723D+01 -0.224533D+01  0.544243D+01
      6  -0.184753D+01  0.821807D+00 -0.154929D+01  0.184670D+01 -0.513078D+01
               141           142           143           144           145 
      1   0.237044D+01  0.554171D+01  0.216954D+01 -0.944700D+01  0.338955D+02
      2  -0.117885D+01 -0.536400D+01  0.705328D-01 -0.136468D+02 -0.234463D+02
      3  -0.119159D+01 -0.177712D+00 -0.224007D+01  0.230938D+02 -0.104492D+02
      4   0.588213D+01 -0.643721D+01  0.884787D+01 -0.965128D+01  0.156507D+02
      5  -0.673191D+01  0.132456D+02 -0.113401D+02  0.371060D+02 -0.344260D+02
      6   0.968175D+01 -0.384375D+01  0.104830D+02 -0.192236D+02 -0.724715D+01
               146           147           148           149           150 
      1   0.319768D+01 -0.100391D+02  0.249296D+01  0.117991D+01 -0.386686D+00
      2  -0.157453D+01  0.132396D+02 -0.826505D+00 -0.192924D+00 -0.788148D+00
      3  -0.162315D+01 -0.320058D+01 -0.166645D+01 -0.986984D+00  0.117483D+01
      4   0.905425D+01 -0.797036D+01  0.809377D+01  0.421722D+01 -0.451916D+01
      5  -0.599006D+01  0.232574D+02 -0.357201D+01 -0.462158D+01  0.199033D+01
      6  -0.512551D+01  0.629018D+01 -0.369996D+01 -0.328377D+01  0.490588D+01
               151           152           153           154           155 
      1  -0.581482D+01 -0.643593D+00  0.417077D+01 -0.418636D+01  0.841041D+01
      2   0.909243D+01  0.347209D+00 -0.962840D+01  0.363744D+01 -0.822075D+01
      3  -0.327762D+01  0.296384D+00  0.545763D+01  0.548919D+00 -0.189654D+00
      4  -0.497028D+01 -0.304336D+01  0.412772D+01 -0.106350D+01  0.112689D+01
      5   0.173281D+02  0.278007D+01 -0.144339D+02  0.121411D+01 -0.300102D+01
      6   0.443350D+01  0.397287D+01 -0.376779D+01 -0.501513D+01  0.850772D+01
               156           157           158           159           160 
      1  -0.679453D+01  0.789610D+01 -0.206412D+02  0.868807D+01 -0.376306D+01
      2   0.166248D+01 -0.801104D+01  0.227060D+02 -0.420221D+01  0.954248D+00
      3   0.513205D+01  0.114938D+00 -0.206476D+01 -0.448586D+01  0.280881D+01
      4  -0.421123D+00  0.234436D+01  0.644660D+01 -0.406053D+01 -0.797087D+00
      5   0.173812D+01 -0.456947D+01  0.420003D+00  0.241451D+01  0.291681D+01
      6  -0.510568D+01  0.582256D+01 -0.201603D+02  0.130445D+02 -0.350052D+01
               161           162           163           164           165 
      1   0.606696D+01 -0.711239D+01 -0.168090D+01 -0.125873D+01 -0.705741D+01
      2  -0.265843D+01  0.212923D+01 -0.217334D+01 -0.217552D+01 -0.183318D+01
      3  -0.340853D+01  0.498316D+01  0.385424D+01  0.343426D+01  0.889060D+01
      4  -0.152810D+01  0.302118D+00  0.157145D+00 -0.851060D+00 -0.145064D+01
      5  -0.121530D+00  0.656818D+00  0.950238D+00  0.176757D+01  0.291735D+01
      6   0.103070D+02 -0.667990D+01  0.199492D+01  0.488863D+01  0.199997D+01
               166           167           168           169           170 
      1  -0.269578D+01 -0.790690D+01 -0.827458D+01 -0.477854D+01 -0.495345D+01
      2  -0.651856D+00  0.135149D+00 -0.605088D+01 -0.759007D+00 -0.458949D+01
      3   0.334764D+01  0.777175D+01  0.143255D+02  0.553755D+01  0.954295D+01
      4  -0.748306D+00 -0.554219D+01 -0.373323D+01 -0.163217D+01 -0.324530D+01
      5   0.353999D+01  0.697975D-01 -0.435050D+01  0.437545D+01 -0.332955D+00
      6   0.394372D+01  0.101305D+02  0.813525D+01  0.228999D+01  0.790877D+01
               171 
      1  -0.100808D+02
      2  -0.776123D+01
      3   0.178420D+02
      4  -0.282264D+01
      5  -0.241582D+01
      6   0.646412D+01
 Leave Link  716 at Thu Aug 12 20:49:30 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.809699D+02 -0.258153D+01  0.197897D+01
      2  -0.258153D+01  0.829562D+02 -0.127772D+01
      3   0.197897D+01 -0.127772D+01  0.729353D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.210185D+01  0.205863D+01  0.772870D+01
      2   0.115223D+02  0.251338D+01 -0.270675D+02
      3  -0.104430D+02  0.121758D+02 -0.235390D+00
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.752202D+02  0.120488D+02  0.221648D+02
      2   0.414606D+02 -0.862198D+01 -0.161925D+02
      3   0.337597D+02 -0.342686D+01 -0.597233D+01
      4  -0.111844D+02 -0.247245D+02  0.129428D+02
      5   0.156897D+02  0.101402D+02 -0.513400D+02
      6   0.121583D+02 -0.133525D+02 -0.213777D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.528017D+01  0.160304D+01 -0.427197D+01  0.116062D+01 -0.358747D+01
      2   0.160304D+01 -0.359584D+01 -0.677917D+00 -0.358747D+01  0.169108D+01
      3  -0.427197D+01 -0.677917D+00  0.226290D+00 -0.423451D+00 -0.300606D+01
                 6             7             8             9            10 
      1  -0.423451D+00 -0.314688D+01 -0.525935D+00 -0.207435D+00 -0.475317D+01
      2  -0.300606D+01 -0.525935D+00 -0.209385D+01 -0.236798D+01 -0.141701D+00
      3  -0.188632D+01 -0.207435D+00 -0.236798D+01  0.258450D+01  0.324204D+01
                11            12            13            14            15 
      1  -0.141701D+00  0.324204D+01  0.118187D+01  0.464390D+01  0.859302D+00
      2   0.386990D+01  0.884145D+00  0.464390D+01  0.169442D+01  0.316247D+01
      3   0.884145D+00  0.340356D+00  0.859302D+00  0.316247D+01  0.294067D+01
                16            17            18            19            20 
      1   0.486705D+01  0.108719D+01  0.351269D+00  0.451486D+01 -0.642113D-01
      2   0.108719D+01  0.312911D+01  0.374614D+01 -0.642113D-01 -0.199284D+01
      3   0.351269D+00  0.374614D+01 -0.368457D+01 -0.190126D+01 -0.127086D+01
                21            22            23            24            25 
      1  -0.190126D+01  0.159977D+00 -0.279245D+01 -0.110760D+01 -0.250465D+01
      2  -0.127086D+01 -0.279245D+01  0.216024D+00  0.220904D+00 -0.141468D+01
      3   0.516129D+00 -0.110760D+01  0.220904D+00 -0.255119D+01  0.102967D+01
                26            27            28            29            30 
      1  -0.141468D+01  0.102967D+01  0.207764D+00  0.108549D+01 -0.109639D-01
      2  -0.823745D+00 -0.321558D+01  0.108549D+01  0.269173D+01  0.137392D+01
      3  -0.321558D+01  0.443784D+01 -0.109639D-01  0.137392D+01  0.384190D+00
                31            32            33            34            35 
      1  -0.111749D+01  0.225142D-01  0.979017D+00 -0.115279D+01  0.149847D+01
      2   0.225142D-01 -0.637178D+01  0.115244D+01  0.149847D+01  0.254964D+01
      3   0.979017D+00  0.115244D+01  0.816476D+00 -0.366364D+00  0.158109D+01
                36            37            38            39            40 
      1  -0.366364D+00  0.546283D+01 -0.101836D+01  0.210491D+01  0.534237D+00
      2   0.158109D+01 -0.101836D+01  0.160887D+00 -0.125989D+00  0.198253D+01
      3  -0.247824D+00  0.210491D+01 -0.125989D+00  0.126759D+01  0.118806D+01
                41            42            43            44            45 
      1   0.198253D+01  0.118806D+01  0.283280D+01 -0.126881D+00  0.234634D+01
      2   0.453138D+01  0.207080D+01 -0.126881D+00  0.346635D+00 -0.685576D+00
      3   0.207080D+01  0.111940D+01  0.234634D+01 -0.685576D+00  0.343705D+01
                46            47            48            49            50 
      1   0.606863D+01  0.255487D+00 -0.297825D+01  0.103381D+01 -0.332173D+01
      2   0.255487D+00 -0.333146D+01 -0.356393D+00 -0.332173D+01 -0.822652D+00
      3  -0.297825D+01 -0.356393D+00  0.325626D+00 -0.617742D+00 -0.196023D+01
                51            52            53            54            55 
      1  -0.617742D+00 -0.374860D+01 -0.374257D+00  0.114203D+01  0.670305D+00
      2  -0.196023D+01 -0.374257D+00 -0.166717D+01 -0.300879D+01  0.956447D+00
      3  -0.210374D+01  0.114203D+01 -0.300879D+01  0.636439D+01  0.205322D+01
                56            57            58            59            60 
      1   0.956447D+00  0.205322D+01  0.582689D+00  0.352485D+01  0.966330D-01
      2   0.394823D+01  0.292134D+00  0.352485D+01  0.883208D+00  0.109835D+01
      3   0.292134D+00 -0.191846D+01  0.966330D-01  0.109835D+01  0.758102D+00
                61            62            63            64            65 
      1   0.311071D+01 -0.114158D+01 -0.255717D+01 -0.117517D+01  0.276360D+01
      2  -0.114158D+01  0.231662D+01  0.113463D+01  0.276360D+01  0.122503D+00
      3  -0.255717D+01  0.113463D+01  0.196429D+01 -0.482285D+00 -0.529116D+00
                66            67            68            69            70 
      1  -0.482285D+00  0.421401D+01  0.128804D+01 -0.787012D-01 -0.258236D+00
      2  -0.529116D+00  0.128804D+01  0.135844D+02 -0.132011D+01 -0.581943D+00
      3  -0.295494D+00 -0.787012D-01 -0.132011D+01  0.202691D+01  0.264947D+00
                71            72            73            74            75 
      1  -0.581943D+00  0.264947D+00 -0.128140D+01  0.508677D+00 -0.902126D+00
      2  -0.949574D+00  0.257493D+01  0.508677D+00 -0.106291D+00  0.166867D+00
      3   0.257493D+01 -0.856855D+00 -0.902126D+00  0.166867D+00 -0.417223D+00
                76            77            78            79            80 
      1   0.716604D+00  0.697337D-01  0.156146D+00 -0.131651D+01  0.544598D+00
      2   0.697337D-01  0.129430D+01 -0.166785D+01  0.544598D+00 -0.199790D+01
      3   0.156146D+00 -0.166785D+01  0.208376D+01 -0.159855D+00  0.185005D+01
                81            82            83            84            85 
      1  -0.159855D+00 -0.232091D+01 -0.169028D+01 -0.170695D+01 -0.259127D+01
      2   0.185005D+01 -0.169028D+01 -0.237399D+01 -0.817900D+00 -0.266187D+01
      3  -0.788230D+01 -0.170695D+01 -0.817900D+00 -0.135173D+01 -0.852526D+00
                86            87            88            89            90 
      1  -0.266187D+01 -0.852526D+00 -0.244633D+01 -0.889873D+00 -0.129556D+01
      2  -0.525561D+01 -0.222711D+01 -0.889873D+00 -0.249195D+01 -0.222738D+01
      3  -0.222711D+01 -0.224469D+01 -0.129556D+01 -0.222738D+01 -0.198745D+01
                91            92            93            94            95 
      1   0.128959D+01 -0.874977D+00  0.940540D-01 -0.260109D+01 -0.106194D+00
      2  -0.874977D+00 -0.116439D+00 -0.608433D+00 -0.106194D+00 -0.555933D+01
      3   0.940540D-01 -0.608433D+00  0.127711D+00 -0.187240D+01 -0.628627D+00
                96            97            98            99           100 
      1  -0.187240D+01  0.845269D-01 -0.671555D+00  0.851688D-01 -0.235709D+01
      2  -0.628627D+00 -0.671555D+00 -0.347974D+00 -0.100001D+01 -0.197097D+01
      3  -0.249021D+01  0.851688D-01 -0.100001D+01  0.847023D+00 -0.363995D-01
               101           102           103           104           105 
      1  -0.197097D+01 -0.363995D-01 -0.219962D+01 -0.220302D+01 -0.301195D+00
      2  -0.455383D+01 -0.807275D+00 -0.220302D+01 -0.724987D+01 -0.137266D+01
      3  -0.807275D+00 -0.668522D+00 -0.301195D+00 -0.137266D+01 -0.127846D+01
               106           107           108           109           110 
      1   0.226343D+00  0.385236D-01  0.864619D-01  0.379014D+01 -0.182672D+01
      2   0.385236D-01 -0.527187D+00 -0.809031D+00 -0.182672D+01  0.176593D+01
      3   0.864619D-01 -0.809031D+00 -0.271824D+00 -0.249024D+01  0.133394D+01
               111           112           113           114           115 
      1  -0.249024D+01 -0.734727D+00  0.107102D+01  0.617018D+00 -0.318609D+01
      2   0.133394D+01  0.107102D+01 -0.160634D+01 -0.122878D+01  0.161655D+01
      3   0.313315D+01  0.617018D+00 -0.122878D+01 -0.103601D+01  0.311178D+01
               116           117           118           119           120 
      1   0.161655D+01  0.311178D+01 -0.101843D+02  0.141482D+01  0.165912D+01
      2  -0.213339D+01 -0.219807D+01  0.141482D+01 -0.114142D+01 -0.408888D-02
      3  -0.219807D+01 -0.390557D+01  0.165912D+01 -0.408888D-02 -0.152667D+01
               121           122           123           124           125 
      1  -0.631442D+00 -0.737400D+00  0.674237D-01  0.296918D+01 -0.509079D+00
      2  -0.737400D+00  0.166411D+00  0.503510D+00 -0.509079D+00  0.799321D+00
      3   0.674237D-01  0.503510D+00 -0.776908D-01 -0.164269D+01  0.395700D+00
               126           127           128           129           130 
      1  -0.164269D+01  0.135096D+01  0.700203D+00  0.776711D+00  0.158593D+01
      2   0.395700D+00  0.700203D+00  0.189109D+01  0.393468D+00  0.640109D+00
      3   0.483452D+00  0.776711D+00  0.393468D+00  0.743606D+00  0.377965D+00
               131           132           133           134           135 
      1   0.640109D+00  0.377965D+00  0.130146D+01  0.874291D-01  0.177154D+00
      2   0.530585D+01  0.130223D+01  0.874291D-01  0.226285D+01  0.153726D+01
      3   0.130223D+01  0.158389D+01  0.177154D+00  0.153726D+01  0.706830D+00
               136           137           138           139           140 
      1  -0.110025D+01  0.370165D+00 -0.914190D+00  0.135783D+00 -0.104354D+00
      2   0.370165D+00  0.193310D+00  0.184758D+00 -0.104354D+00  0.124363D+01
      3  -0.914190D+00  0.184758D+00 -0.587911D+00  0.379896D+00 -0.126834D+01
               141           142           143           144           145 
      1   0.379896D+00 -0.173398D+01  0.879661D+00 -0.166046D+01 -0.779399D+01
      2  -0.126834D+01  0.879661D+00 -0.199827D+01  0.254900D+01 -0.120985D+01
      3   0.144625D+01 -0.166046D+01  0.254900D+01 -0.836816D+01  0.372126D+01
               146           147           148           149           150 
      1  -0.120985D+01  0.372126D+01 -0.920181D+00 -0.822008D+00  0.427702D+00
      2  -0.105614D+01  0.805804D+00 -0.822008D+00 -0.814142D+00  0.940467D+00
      3   0.805804D+00 -0.324624D+01  0.427702D+00  0.940467D+00 -0.137020D+00
               151           152           153           154           155 
      1   0.233575D+01  0.420576D+00 -0.214634D+01  0.127878D+01 -0.162866D+01
      2   0.420576D+00  0.612025D+00 -0.248202D+00 -0.162866D+01  0.226931D+01
      3  -0.214634D+01 -0.248202D+00  0.201973D+01  0.897625D+00 -0.779462D+00
               156           157           158           159           160 
      1   0.897625D+00 -0.188010D+01  0.192375D+01 -0.317318D+00  0.652300D+00
      2  -0.779462D+00  0.192375D+01 -0.564265D+01  0.233073D+01 -0.385772D+00
      3   0.140196D+01 -0.317318D+00  0.233073D+01 -0.217488D+01  0.720243D+00
               161           162           163           164           165 
      1  -0.385772D+00  0.720243D+00  0.105224D+01  0.767798D+00  0.114567D+01
      2   0.141920D+01 -0.119747D+01  0.767798D+00  0.135536D+01  0.542393D+00
      3  -0.119747D+01  0.107914D+01  0.114567D+01  0.542393D+00  0.154564D+01
               166           167           168           169           170 
      1   0.137039D+01  0.117005D+01  0.421770D+00  0.111392D+01  0.448554D+00
      2   0.117005D+01  0.271172D+01  0.189786D+01  0.448554D+00  0.159560D+01
      3   0.421770D+00  0.189786D+01  0.320475D+01  0.720794D+00  0.158928D+01
               171 
      1   0.720794D+00
      2   0.158928D+01
      3   0.328030D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.611329D+00 -0.757663D+01 -0.947850D+00 -0.667979D+01  0.221219D+01
      2  -0.230468D+01 -0.275689D+01  0.111713D+02 -0.211499D+01  0.110120D+02
      3  -0.199487D+01 -0.873092D+01  0.242728D+01 -0.456655D+01  0.495800D+01
                 6             7             8             9            10 
      1  -0.105612D+02 -0.102087D+01 -0.411185D+01 -0.386699D+00  0.183860D+01
      2   0.361408D+01  0.430403D+01  0.418422D+01 -0.405802D+01 -0.829088D+01
      3  -0.402372D+01  0.161249D+01 -0.244716D+01 -0.328358D+01  0.212789D+01
                11            12            13            14            15 
      1   0.545411D-01  0.472104D-01 -0.321631D-01  0.339366D+00 -0.336986D+01
      2  -0.229961D+01  0.389675D+01  0.197450D+01 -0.245541D+01 -0.330729D+01
      3   0.362004D+01  0.195433D+01  0.929757D+01 -0.996646D+00  0.369005D+01
                16            17            18            19            20 
      1  -0.158329D+01  0.230236D+01 -0.188454D+01 -0.223068D+01  0.149190D+01
      2  -0.117515D+01 -0.237996D+01  0.502941D+01  0.165352D+01  0.704596D+00
      3  -0.161500D+01  0.279683D+01  0.431873D+01 -0.835699D+00 -0.366598D+01
                21            22            23            24            25 
      1  -0.121367D+01  0.424191D+01 -0.316311D+00  0.625779D+00  0.269514D+01
      2  -0.106375D+01 -0.794920D+00 -0.212913D+01  0.238948D+01 -0.766770D+01
      3  -0.393048D-01  0.356134D+01 -0.310936D+00 -0.286043D+01  0.136855D+01
                26            27            28            29            30 
      1   0.413853D+01  0.259372D+01 -0.116299D+01 -0.449391D+01  0.822896D+00
      2  -0.156445D+01  0.308652D+01  0.119470D+02  0.433975D+01  0.241047D+01
      3  -0.655710D+00  0.154964D+00 -0.332440D+01 -0.800958D+01 -0.284940D+01
                31            32            33            34            35 
      1  -0.363936D+01  0.649632D+00  0.692879D+01  0.285800D+01  0.699419D+01
      2  -0.113772D+01  0.131810D+01 -0.465429D+00 -0.951426D+01 -0.223921D+01
      3  -0.597438D+01  0.900642D+01  0.240034D+01 -0.791959D+00  0.357751D+01
                36            37            38            39            40 
      1  -0.147451D+01 -0.887012D+00  0.372546D+01  0.548152D+00  0.297370D+01
      2  -0.921487D+01 -0.164844D+01 -0.153301D+01  0.518433D+01  0.243261D+00
      3  -0.494514D+00  0.238883D+01 -0.674007D+01  0.971051D+00 -0.182251D+01
                41            42            43            44            45 
      1   0.942616D+01  0.409436D+00 -0.111013D+01  0.493024D+01 -0.440748D+00
      2   0.360198D+01  0.330608D+01  0.255691D+01  0.902871D+00  0.905967D+01
      3  -0.148775D+02 -0.640621D+01 -0.164048D+01 -0.546579D+01  0.893397D+00
                46            47            48            49            50 
      1   0.322080D+01  0.269979D+01 -0.432771D+00  0.243601D+01  0.221850D+01
      2   0.104967D+02  0.116411D+01 -0.730396D+00  0.144456D+01  0.277119D+01
      3   0.825936D+01 -0.121492D+02 -0.467363D+01 -0.504113D+01 -0.667182D+01
                51            52            53            54            55 
      1   0.188557D+01 -0.255091D+01  0.739721D+01 -0.760705D+01  0.434008D+01
      2   0.474990D+01 -0.732211D+01  0.714430D+01 -0.139769D+02  0.320316D+01
      3  -0.547691D+01 -0.514593D+01 -0.494927D+01 -0.568324D+01 -0.378933D+01
                56            57            58            59            60 
      1  -0.372009D+01 -0.341335D+01 -0.340968D+01  0.349899D+01 -0.356199D+01
      2  -0.765110D+00  0.220225D+01 -0.776711D+00  0.435831D+01 -0.110397D+01
      3  -0.130598D+02 -0.499501D+01 -0.249384D+01 -0.825568D+01 -0.156810D+01
                61            62            63            64            65 
      1  -0.600125D+01  0.605675D+01  0.402885D+01  0.134366D+01  0.764511D+00
      2  -0.530812D+01  0.145345D+01  0.186605D+01 -0.359462D+01 -0.180000D+01
      3  -0.362712D+01 -0.695189D+00  0.451425D+01 -0.477259D+01  0.118971D+00
                66            67            68            69            70 
      1  -0.887175D+00 -0.109927D+01 -0.135882D+01 -0.129028D+02 -0.892865D+00
      2   0.154429D+01  0.379571D+01 -0.184897D+00  0.229040D+01 -0.140619D+01
      3   0.102253D+01  0.138821D+02 -0.157411D+02  0.145358D+01  0.111063D+01
                71            72            73            74            75 
      1  -0.254739D-02  0.571044D+00 -0.677331D+00  0.559678D+00 -0.164049D+00
      2   0.478087D+01  0.120347D+01 -0.139081D+01  0.686753D+00 -0.694813D-02
      3  -0.413261D+00 -0.432962D+01  0.308606D+00 -0.443711D+00  0.542578D+00
                76            77            78            79            80 
      1  -0.161812D+00 -0.219540D+01  0.356376D+00 -0.105843D+01  0.476187D+01
      2   0.156980D+01 -0.693630D+00 -0.153830D+00 -0.368726D+01  0.892735D+00
      3   0.179034D+01 -0.294366D-01  0.949428D+00 -0.371819D+00  0.161332D+00
                81            82            83            84            85 
      1  -0.142374D+01 -0.467625D+00  0.625858D+00 -0.131124D+01  0.504755D+00
      2   0.422098D-01  0.884045D+00  0.520979D+00  0.249780D+01 -0.181880D+01
      3  -0.476749D+00 -0.342975D+00 -0.442113D+01 -0.283423D+00  0.133805D+01
                86            87            88            89            90 
      1   0.112082D+01 -0.247236D+01 -0.290624D+00  0.151469D+01 -0.631916D+00
      2   0.121635D+01  0.354793D+01 -0.174697D+01  0.226081D+01  0.216021D+01
      3  -0.655026D+01 -0.300124D+01  0.183451D+01 -0.332205D+01 -0.245274D+01
                91            92            93            94            95 
      1  -0.127009D+00 -0.244490D+01  0.201421D+00 -0.260295D+01 -0.113696D+02
      2   0.208994D+01  0.514633D-01  0.801769D-01 -0.107505D+01 -0.191960D+01
      3   0.158635D+00  0.111956D+01  0.946992D+00  0.286082D+01  0.183491D+02
                96            97            98            99           100 
      1  -0.378440D+01 -0.662756D+00 -0.952994D+00  0.113339D+01  0.103109D+01
      2  -0.547267D+01 -0.872061D+00 -0.263276D+01  0.181363D-01 -0.193773D+01
      3   0.451036D+01  0.698913D+00  0.337143D+01  0.257095D+01  0.946811D+01
               101           102           103           104           105 
      1   0.210044D+01 -0.213509D+01  0.395153D+00  0.282801D+01 -0.299672D+01
      2  -0.855418D+00  0.745871D+00 -0.165362D+01 -0.177035D+01 -0.149771D+00
      3   0.680788D+01  0.486031D+00  0.832862D+01  0.107405D+02  0.243394D+01
               106           107           108           109           110 
      1   0.317919D+00 -0.916458D-01  0.612491D+00 -0.369666D+01  0.133320D+01
      2   0.150006D+00 -0.182658D+00  0.398543D+00  0.408360D+00  0.595298D+00
      3  -0.835396D+00  0.299509D+00  0.195906D+00 -0.554892D+01  0.936971D+00
               111           112           113           114           115 
      1   0.658162D+01  0.531816D+00 -0.108361D+01 -0.197716D+01  0.501262D+01
      2   0.318453D+01 -0.429321D-01 -0.317458D+00 -0.957747D+00 -0.410787D+00
      3   0.346525D+01  0.149768D+01  0.232064D+00 -0.184239D+00  0.506274D+01
               116           117           118           119           120 
      1  -0.151248D+01 -0.636745D+01 -0.266974D+01  0.705632D-01  0.204409D+01
      2  -0.139079D+01 -0.303200D+01 -0.846590D+01  0.469786D+00  0.739873D+01
      3  -0.257745D+00 -0.417768D+01 -0.857819D+01 -0.423271D+01  0.223235D+01
               121           122           123           124           125 
      1   0.439446D+00 -0.592395D+00 -0.924120D+00  0.156771D+01  0.256721D+00
      2  -0.119274D+00 -0.174007D+01  0.321287D+00  0.423900D+01 -0.869532D+00
      3  -0.113955D+01 -0.596626D+00  0.140336D+01  0.231125D+01  0.237703D+01
               126           127           128           129           130 
      1  -0.846655D+00 -0.141804D+01 -0.108954D+01 -0.164409D+01 -0.116193D+01
      2  -0.255709D+01 -0.158974D+01 -0.553253D+00 -0.820367D+00 -0.668804D+00
      3  -0.583726D+00  0.645122D+01  0.572157D+01  0.239625D+01  0.739949D+01
               131           132           133           134           135 
      1  -0.376593D+01 -0.463263D+01 -0.403859D+00 -0.157541D+01 -0.207342D+01
      2  -0.268583D+01 -0.298499D+01 -0.146755D+01 -0.293767D+01 -0.133860D+01
      3   0.134283D+02  0.428198D+01  0.278651D+01  0.541021D+01  0.378840D+01
               136           137           138           139           140 
      1   0.632506D+00 -0.443229D+00  0.573540D+00 -0.512976D+00  0.208442D+00
      2   0.132860D+01 -0.574179D+00  0.175725D+01 -0.410519D+00  0.254673D+01
      3   0.114207D-01  0.177572D+00 -0.977772D-01  0.139439D+01  0.275022D+01
               141           142           143           144           145 
      1  -0.205489D+01  0.725856D+00  0.130180D+01  0.859080D+01  0.113135D+01
      2  -0.318866D+01 -0.744596D+00 -0.445904D+01  0.176812D+02  0.815604D+01
      3  -0.230837D+01 -0.437140D+00 -0.406287D+01  0.452059D+01  0.498703D+01
               146           147           148           149           150 
      1  -0.208896D+01 -0.166005D+01 -0.434858D+00 -0.275673D+00  0.201465D+00
      2   0.391453D+00  0.181597D+01  0.986988D+00 -0.630328D+00 -0.312567D+00
      3  -0.301652D+01 -0.140542D+01  0.571505D+00 -0.717756D+00  0.956771D+00
               151           152           153           154           155 
      1  -0.100210D+01  0.198356D+01  0.115060D+01 -0.229044D+01  0.446351D+01
      2  -0.259496D+01 -0.621787D+00 -0.131419D+00 -0.501888D+01  0.411250D+01
      3  -0.135893D+01  0.127662D+01  0.147430D+01 -0.463172D+01  0.377572D+01
               156           157           158           159           160 
      1   0.131118D+01  0.413818D+01 -0.817169D+01 -0.103776D+01  0.267546D+00
      2  -0.178784D+01  0.500034D+01 -0.711091D+01  0.265290D+01 -0.309496D+01
      3  -0.138088D+01  0.687972D+01 -0.864959D+01  0.269388D+01 -0.129505D+01
               161           162           163           164           165 
      1   0.231427D+01 -0.735880D+00  0.270079D+01  0.396780D+01  0.167922D+01
      2   0.229548D+01 -0.206881D+01 -0.493743D+01 -0.253808D+01 -0.301239D+01
      3   0.182302D+01 -0.245714D+01  0.948459D+00  0.713223D+00 -0.811372D-01
               166           167           168           169           170 
      1   0.308555D+01  0.726618D+01  0.340051D+01  0.184145D+01  0.577285D+01
      2  -0.440181D+01 -0.518706D+01 -0.477513D+01 -0.472364D+01 -0.334570D+01
      3   0.272269D+01  0.264159D+01  0.204387D+01  0.333226D+00  0.117556D+01
               171 
      1   0.455305D+01
      2  -0.515602D+01
      3   0.150749D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.140354D+02 -0.827377D+01  0.181740D+02 -0.752655D+01  0.192091D+02
      2   0.135780D+02  0.125490D+02 -0.917303D+01  0.112246D+02 -0.916607D+01
      3   0.457361D+00 -0.427525D+01 -0.900098D+01 -0.369804D+01 -0.100431D+02
      4  -0.110707D+02  0.498211D+01  0.741120D+01  0.631618D+01  0.148602D+01
      5   0.256861D+02  0.525318D+01 -0.122660D+02  0.318261D+01 -0.145475D+01
      6   0.884614D+01 -0.951101D+01 -0.349446D+01 -0.875324D+01  0.639966D+01
                 6             7             8             9            10 
      1   0.415290D+01  0.130946D+02  0.396333D+01 -0.717396D+01  0.104330D+02
      2   0.886833D+01 -0.650387D+01  0.672618D+01 -0.134842D+01 -0.124939D+02
      3  -0.130212D+02 -0.659076D+01 -0.106895D+02  0.852237D+01  0.206093D+01
      4   0.567891D+01  0.609498D+01  0.408410D+01  0.554689D+01 -0.525843D+01
      5   0.147922D+01 -0.948302D+01  0.356955D+01 -0.522934D+01 -0.119105D+02
      6  -0.761751D+01 -0.208194D+01 -0.548317D+01 -0.769072D+01 -0.590421D+01
                11            12            13            14            15 
      1   0.776104D-01 -0.950029D+01  0.323756D+01 -0.109145D+02 -0.171424D+01
      2  -0.105626D+01  0.393384D+01 -0.259147D+01 -0.638898D+00 -0.397127D+01
      3   0.978646D+00  0.556644D+01 -0.646087D+00  0.115534D+02  0.568551D+01
      4  -0.154352D+02 -0.529898D+01 -0.152181D+02 -0.931145D+01 -0.117390D+02
      5  -0.313360D+01 -0.129380D+01 -0.936072D+00 -0.132459D+02 -0.772880D+01
      6  -0.513168D+01 -0.860127D+00 -0.562707D+01 -0.543144D+01 -0.293467D+01
                16            17            18            19            20 
      1  -0.109708D+02 -0.122135D+01  0.250440D+01 -0.776197D+01 -0.713557D+01
      2   0.426398D+01 -0.199469D+01 -0.265078D+01  0.834711D+01  0.907787D+01
      3   0.670686D+01  0.321605D+01  0.146385D+00 -0.585134D+00 -0.194230D+01
      4  -0.279550D+01 -0.934141D+01 -0.112860D+02  0.631224D+01  0.782857D+00
      5  -0.241224D+01 -0.104297D+02  0.807088D+01  0.129181D+01 -0.111070D+01
      6  -0.208976D+01 -0.539088D+01 -0.604230D+00  0.458466D+01  0.512211D+01
                21            22            23            24            25 
      1  -0.124224D-01 -0.388101D+01  0.315437D+01 -0.402938D+01  0.453517D+01
      2   0.323552D+00  0.389949D+01  0.779089D+00 -0.490083D+01  0.694972D-01
      3  -0.311130D+00 -0.184849D-01 -0.393346D+01  0.893021D+01 -0.460467D+01
      4   0.889066D+00 -0.379028D+01  0.103219D+02  0.145917D+01 -0.436027D+00
      5  -0.131785D+01 -0.163739D+01  0.302645D+01  0.506289D+01  0.228966D+01
      6   0.396420D+01  0.130669D+01  0.434815D+00 -0.744545D+01 -0.464490D+00
                26            27            28            29            30 
      1  -0.708311D+01  0.795023D+01 -0.569773D+01  0.284041D+01 -0.801029D+00
      2   0.821983D-01  0.135822D+02  0.201498D+01 -0.300890D+01  0.738044D+01
      3   0.700091D+01 -0.215325D+02  0.368274D+01  0.168484D+00 -0.657941D+01
      4   0.339731D+01 -0.250591D+01  0.383908D+01  0.303855D+01  0.198500D+01
      5  -0.720428D+00 -0.121285D+01 -0.748919D+01  0.430525D+01 -0.204038D+01
      6   0.284376D+01  0.663492D+01 -0.150695D+01 -0.302158D+01  0.166702D+01
                31            32            33            34            35 
      1   0.764390D+01  0.190161D+02  0.138364D+01 -0.120148D+02  0.679989D+01
      2  -0.850967D+01 -0.357836D+02 -0.186941D+01  0.982071D+01 -0.230380D+01
      3   0.865763D+00  0.167675D+02  0.485774D+00  0.219414D+01 -0.449610D+01
      4  -0.158471D+02 -0.193182D+02  0.343173D+01  0.443603D+01 -0.346342D+00
      5   0.691847D+01  0.610211D+01 -0.297691D+00  0.781197D-02  0.215174D+01
      6   0.706566D+00  0.270997D+01 -0.110112D+02 -0.736159D+00  0.855654D+00
                36            37            38            39            40 
      1  -0.131340D+01  0.359480D+02 -0.231062D+01  0.773265D+01  0.269324D+01
      2  -0.180685D+01 -0.237438D+02  0.191994D+01 -0.995199D+01 -0.177774D+01
      3   0.312025D+01 -0.122042D+02  0.390681D+00  0.221933D+01 -0.915501D+00
      4   0.154757D+01 -0.280596D+01  0.807209D+01 -0.149009D+00  0.132767D+02
      5  -0.863774D+01  0.146391D+02 -0.173663D+01  0.143449D+02  0.256651D+01
      6  -0.121803D+01  0.468331D+00  0.138813D+01 -0.241857D+01  0.326429D+00
                41            42            43            44            45 
      1   0.655962D+01  0.465467D+01  0.113311D+02 -0.897170D+00  0.338618D+01
      2  -0.255475D+01 -0.389366D+01 -0.114382D+02  0.130746D+01 -0.155758D+02
      3  -0.400488D+01 -0.761014D+00  0.107171D+00 -0.410294D+00  0.121896D+02
      4   0.115617D+02  0.591538D+01 -0.295102D+01  0.384821D+01 -0.108071D+01
      5   0.624802D+01  0.306968D+01  0.162515D+02 -0.225597D+01  0.180621D+02
      6  -0.231666D+01  0.495854D+01  0.186831D+00  0.485974D+01 -0.134165D+00
                46            47            48            49            50 
      1  -0.394237D+02  0.565694D+01  0.175749D+02 -0.232116D+01  0.162427D+02
      2   0.211242D+02 -0.102837D+02 -0.100745D+02 -0.545575D+01 -0.965401D+01
      3   0.182995D+02  0.462675D+01 -0.750040D+01  0.777691D+01 -0.658867D+01
      4   0.560322D+01  0.122785D+02 -0.215393D+01  0.129749D+02 -0.303331D+01
      5   0.132323D+02  0.497337D+00 -0.606782D+00  0.773653D+00  0.982360D+01
      6  -0.498428D+01  0.523130D-01  0.334707D+00  0.890646D+00 -0.466693D+01
                51            52            53            54            55 
      1   0.309192D+01  0.218801D+02  0.152615D+01  0.409717D+01  0.109168D+02
      2  -0.904169D+01 -0.101785D+02 -0.872618D+01  0.673827D+01 -0.572371D+01
      3   0.594977D+01 -0.117016D+02  0.720003D+01 -0.108354D+02 -0.519309D+01
      4   0.610604D+01 -0.233226D+01  0.445102D+01  0.101656D+02 -0.303678D+01
      5   0.927287D+01 -0.406738D+01  0.111593D+02 -0.268297D+02  0.574683D+01
      6  -0.391628D+01  0.186975D+01 -0.398353D+01  0.126439D+02 -0.892645D+01
                56            57            58            59            60 
      1   0.133678D+02  0.273679D+01  0.892147D+01  0.469653D+01  0.296408D+01
      2  -0.223102D+02 -0.627830D+01 -0.157309D+02 -0.304591D+00 -0.395453D+01
      3   0.894246D+01  0.354151D+01  0.680938D+01 -0.439194D+01  0.990451D+00
      4   0.176713D+01 -0.532016D+01  0.538802D+01 -0.172731D+02  0.242126D+01
      5  -0.372853D+01 -0.154720D+01 -0.238827D+01 -0.207722D+01 -0.344340D+00
      6  -0.300359D+01  0.589964D+01 -0.110286D+01 -0.717569D+01  0.329271D+01
                61            62            63            64            65 
      1  -0.633119D+00  0.386048D+01 -0.345416D+01  0.327871D+01  0.653168D+01
      2  -0.285232D+01 -0.622856D+01 -0.991895D+00  0.453648D+01 -0.265990D+01
      3   0.348544D+01  0.236808D+01  0.444605D+01 -0.781520D+01 -0.387178D+01
      4  -0.741265D+01  0.633035D+01  0.101132D+02  0.631619D+01  0.153511D+02
      5  -0.680869D+01  0.544483D+01  0.971758D+01 -0.129111D+01 -0.241865D+01
      6   0.118845D+02 -0.446846D+01 -0.792777D+01 -0.909724D+00 -0.138082D+01
                66            67            68            69            70 
      1   0.301186D+00  0.273596D+01 -0.355697D+02  0.199510D+01  0.708524D+00
      2  -0.135676D+01  0.279457D+01  0.660470D+02 -0.172053D+01 -0.209397D+01
      3   0.105558D+01 -0.553053D+01 -0.304773D+02 -0.274577D+00  0.138545D+01
      4  -0.203706D+01  0.224855D+02  0.335845D+02 -0.355559D+01 -0.221945D+01
      5   0.429888D+01 -0.188836D+01 -0.716868D+01  0.692873D+01  0.453337D+01
      6   0.993625D+00 -0.203948D+01 -0.374672D+01  0.180732D+02  0.186549D+01
                71            72            73            74            75 
      1  -0.455140D+00 -0.743083D+01  0.565124D+00  0.387599D+00 -0.670492D+00
      2  -0.125363D+01  0.618033D+01 -0.508309D+01  0.192517D+00 -0.981716D+00
      3   0.170877D+01  0.125050D+01  0.451796D+01 -0.580116D+00  0.165221D+01
      4  -0.211121D+01  0.646435D+01  0.550175D-01  0.126871D+01 -0.814868D+00
      5   0.720835D+01 -0.239822D+01  0.996787D+00 -0.172254D+01  0.644578D+01
      6   0.153234D+02 -0.225269D+01 -0.213948D+01  0.315636D-02 -0.108856D+00
                76            77            78            79            80 
      1   0.333312D+00 -0.414324D+01  0.479703D+01 -0.426040D+00  0.342485D+01
      2   0.893219D+00 -0.165168D+01  0.432300D+01 -0.196422D+01  0.511733D+01
      3  -0.122653D+01  0.579492D+01 -0.912003D+01  0.239026D+01 -0.854218D+01
      4   0.197507D+01  0.805391D+00 -0.140968D+00 -0.175479D+00 -0.200791D+01
      5  -0.109730D+01  0.272191D+00 -0.199348D+00  0.494661D+01  0.530157D-01
      6   0.939055D+00 -0.453206D+01  0.851169D+01 -0.118023D+01  0.635687D+01
                81            82            83            84            85 
      1  -0.185852D+02  0.103074D+02  0.532295D+01  0.522476D+01  0.448927D+01
      2  -0.190856D+02 -0.256393D+01 -0.476527D+00 -0.204664D+01  0.161225D+01
      3   0.376707D+02 -0.774345D+01 -0.484642D+01 -0.317812D+01 -0.610152D+01
      4   0.834694D+00  0.127643D+02  0.144977D+02  0.610050D+01  0.151367D+02
      5   0.161948D-01  0.867082D+01  0.531662D+01  0.797512D+01  0.548470D+01
      6  -0.597548D+01  0.449169D+01  0.396201D+01  0.372813D+01  0.467026D+01
                86            87            88            89            90 
      1  -0.499457D+00  0.177507D+00  0.448200D+01 -0.105882D+01 -0.446591D+00
      2   0.108821D+02  0.362868D+01 -0.244082D+01  0.196403D+01 -0.126691D+01
      3  -0.103826D+02 -0.380618D+01 -0.204118D+01 -0.905209D+00  0.171350D+01
      4   0.217872D+02  0.931992D+01  0.572081D+01  0.927365D+01  0.920761D+01
      5   0.873251D+01  0.792032D+01  0.863727D+01  0.839116D+01  0.865570D+01
      6   0.106510D+02  0.852731D+01  0.423159D+01  0.947076D+01  0.803365D+01
                91            92            93            94            95 
      1   0.339959D+01 -0.359778D+01  0.151120D+00 -0.115371D+02 -0.334954D+01
      2  -0.600394D+00  0.108936D+01  0.160221D+01  0.705853D+01  0.319310D+01
      3  -0.279919D+01  0.250842D+01 -0.175333D+01  0.447862D+01  0.156437D+00
      4  -0.552558D+01  0.130196D+01 -0.216215D+01  0.155518D+01 -0.173187D+02
      5  -0.254157D+00 -0.218183D+01  0.282178D-01 -0.794536D+01 -0.973840D+00
      6  -0.867096D+00  0.193766D+01 -0.992910D+00  0.368196D+01 -0.185671D+01
                96            97            98            99           100 
      1  -0.549776D+01 -0.252603D+01 -0.111589D+01 -0.158660D+01 -0.543308D+01
      2   0.622428D+01  0.179692D+01  0.568147D+00  0.148694D+01  0.926612D+01
      3  -0.726527D+00  0.729115D+00  0.547744D+00  0.996650D-01 -0.383305D+01
      4   0.429194D+00 -0.322545D+01 -0.427640D-01 -0.325215D+01  0.802292D+01
      5  -0.855616D+01  0.818552D+00 -0.320528D+01  0.124519D+01  0.334562D+01
      6   0.324229D+01 -0.136840D+00  0.294672D+01 -0.316719D+01  0.256238D+01
               101           102           103           104           105 
      1  -0.131379D+02 -0.255680D+01 -0.832873D+01 -0.227315D+02 -0.483320D+01
      2   0.200202D+02  0.211183D+01  0.118092D+02  0.344613D+02  0.452132D+01
      3  -0.688226D+01  0.444964D+00 -0.348046D+01 -0.117298D+02  0.311889D+00
      4   0.808086D+01  0.336465D+00  0.737713D+01  0.569276D+01 -0.621477D-01
      5   0.252178D+01  0.854282D+00  0.285602D+01  0.198672D+01 -0.749751D+00
      6   0.822006D+01  0.376816D+01  0.390810D+01  0.134557D+02  0.748130D+01
               106           107           108           109           110 
      1   0.101052D+01 -0.196099D+01 -0.205022D+01  0.432333D+01  0.786579D+00
      2  -0.551442D+00  0.147284D+01  0.197113D+01 -0.455303D+01 -0.147219D+01
      3  -0.459081D+00  0.488155D+00  0.790909D-01  0.229701D+00  0.685609D+00
      4   0.820509D-01 -0.351508D+00  0.412269D+00 -0.132946D+02  0.881460D+01
      5   0.234989D+01  0.192611D+00  0.643019D+00 -0.142151D+02  0.737509D+01
      6   0.742000D-01  0.601988D+01  0.225698D+01  0.115409D+02 -0.853658D+01
               111           112           113           114           115 
      1  -0.364112D+00  0.129218D+01 -0.420117D+01 -0.321626D+01  0.860399D+00
      2   0.415926D+01 -0.226435D+01  0.485185D+01  0.323685D+01  0.437808D+01
      3  -0.379515D+01  0.972167D+00 -0.650679D+00 -0.205970D-01 -0.523848D+01
      4   0.967329D+01  0.614014D+01 -0.564686D+01 -0.466292D+01  0.109045D+02
      5   0.136158D+02  0.282151D+01 -0.479054D+01 -0.327231D+01  0.148323D+02
      6  -0.131032D+02 -0.531683D+01  0.790549D+01  0.851178D+01 -0.133589D+02
               116           117           118           119           120 
      1  -0.523577D+01 -0.464427D+01  0.687706D+02 -0.648454D+01 -0.109347D+02
      2   0.268721D+01 -0.452871D+01 -0.340873D+02  0.149204D+01  0.548821D+01
      3   0.254856D+01  0.917298D+01 -0.346833D+02  0.499250D+01  0.544652D+01
      4  -0.743283D+01 -0.115164D+02 -0.176875D+02  0.106232D+02  0.219472D+01
      5  -0.786751D+01 -0.154874D+02 -0.623302D+01 -0.469038D-01  0.105922D+02
      6   0.129761D+02  0.176145D+02  0.305394D+01  0.944837D-02 -0.323402D+01
               121           122           123           124           125 
      1   0.396714D+01  0.462082D+01 -0.852730D+00 -0.177441D+02  0.193651D+01
      2  -0.364739D+01 -0.697025D+00  0.161004D+01  0.922969D+01  0.606536D+00
      3  -0.319754D+00 -0.392380D+01 -0.757314D+00  0.851437D+01 -0.254305D+01
      4   0.789451D+01 -0.121856D+01 -0.286079D+01  0.548749D+01 -0.433479D+01
      5  -0.296086D-02 -0.248754D+01  0.491301D+00  0.109078D+02 -0.189820D+01
      6  -0.423376D+00  0.921043D+00  0.128684D+01 -0.270103D+01  0.169425D+01
               126           127           128           129           130 
      1   0.795875D+01 -0.134643D+01 -0.566502D+01 -0.397384D+01 -0.757822D+01
      2  -0.595158D+01  0.291709D+01  0.696880D+01  0.286803D+01  0.635744D+01
      3  -0.200718D+01 -0.157066D+01 -0.130377D+01  0.110581D+01  0.122078D+01
      4  -0.278437D+01  0.142426D+01 -0.320738D+01  0.744405D+00  0.310332D+01
      5  -0.400918D+01 -0.279041D+01 -0.918022D+00 -0.205804D+01 -0.186092D+01
      6   0.553710D+00  0.180497D+01  0.797729D+00  0.222147D+01  0.899092D+00
               131           132           133           134           135 
      1  -0.153070D+02 -0.461869D+01 -0.609210D+01 -0.427061D+01 -0.536565D+01
      2   0.251006D+02  0.745585D+01  0.322149D+01  0.765694D+01  0.353129D+01
      3  -0.979358D+01 -0.283716D+01  0.287061D+01 -0.338633D+01  0.183435D+01
      4  -0.149857D+02 -0.333040D+01  0.265874D+01 -0.644699D+01 -0.382262D+01
      5  -0.530381D+01 -0.639904D+01  0.300355D+00 -0.536042D+01 -0.154025D+01
      6   0.441520D+01  0.620736D+01  0.676304D+00  0.626340D+01  0.316214D+01
               136           137           138           139           140 
      1   0.568735D+01 -0.215769D+01  0.344790D+01 -0.113484D+00 -0.471903D+01
      2  -0.493264D+01  0.164976D+01 -0.239267D+01  0.375304D+00  0.309563D+01
      3  -0.754702D+00  0.507933D+00 -0.105522D+01 -0.261820D+00  0.162340D+01
      4  -0.298357D+01  0.140927D+01 -0.283409D+01  0.251227D+01 -0.483687D+01
      5   0.481467D+01 -0.232607D+01  0.799723D+01 -0.224533D+01  0.544243D+01
      6  -0.184753D+01  0.821807D+00 -0.154929D+01  0.184670D+01 -0.513078D+01
               141           142           143           144           145 
      1   0.237044D+01  0.554171D+01  0.216954D+01 -0.944700D+01  0.338955D+02
      2  -0.117885D+01 -0.536400D+01  0.705328D-01 -0.136468D+02 -0.234463D+02
      3  -0.119159D+01 -0.177712D+00 -0.224007D+01  0.230938D+02 -0.104492D+02
      4   0.588213D+01 -0.643721D+01  0.884787D+01 -0.965128D+01  0.156507D+02
      5  -0.673191D+01  0.132456D+02 -0.113401D+02  0.371060D+02 -0.344260D+02
      6   0.968175D+01 -0.384375D+01  0.104830D+02 -0.192236D+02 -0.724715D+01
               146           147           148           149           150 
      1   0.319768D+01 -0.100391D+02  0.249296D+01  0.117991D+01 -0.386686D+00
      2  -0.157453D+01  0.132396D+02 -0.826505D+00 -0.192924D+00 -0.788148D+00
      3  -0.162315D+01 -0.320058D+01 -0.166645D+01 -0.986984D+00  0.117483D+01
      4   0.905425D+01 -0.797036D+01  0.809377D+01  0.421722D+01 -0.451916D+01
      5  -0.599006D+01  0.232574D+02 -0.357201D+01 -0.462158D+01  0.199033D+01
      6  -0.512551D+01  0.629018D+01 -0.369996D+01 -0.328377D+01  0.490588D+01
               151           152           153           154           155 
      1  -0.581482D+01 -0.643593D+00  0.417077D+01 -0.418636D+01  0.841041D+01
      2   0.909243D+01  0.347209D+00 -0.962840D+01  0.363744D+01 -0.822075D+01
      3  -0.327762D+01  0.296384D+00  0.545763D+01  0.548919D+00 -0.189654D+00
      4  -0.497028D+01 -0.304336D+01  0.412772D+01 -0.106350D+01  0.112689D+01
      5   0.173281D+02  0.278007D+01 -0.144339D+02  0.121411D+01 -0.300102D+01
      6   0.443350D+01  0.397287D+01 -0.376779D+01 -0.501513D+01  0.850772D+01
               156           157           158           159           160 
      1  -0.679453D+01  0.789610D+01 -0.206412D+02  0.868807D+01 -0.376306D+01
      2   0.166248D+01 -0.801104D+01  0.227060D+02 -0.420221D+01  0.954248D+00
      3   0.513205D+01  0.114938D+00 -0.206476D+01 -0.448586D+01  0.280881D+01
      4  -0.421123D+00  0.234436D+01  0.644660D+01 -0.406053D+01 -0.797087D+00
      5   0.173812D+01 -0.456947D+01  0.420003D+00  0.241451D+01  0.291681D+01
      6  -0.510568D+01  0.582256D+01 -0.201603D+02  0.130445D+02 -0.350052D+01
               161           162           163           164           165 
      1   0.606696D+01 -0.711239D+01 -0.168090D+01 -0.125873D+01 -0.705741D+01
      2  -0.265843D+01  0.212923D+01 -0.217334D+01 -0.217552D+01 -0.183318D+01
      3  -0.340853D+01  0.498316D+01  0.385424D+01  0.343426D+01  0.889060D+01
      4  -0.152810D+01  0.302118D+00  0.157145D+00 -0.851060D+00 -0.145064D+01
      5  -0.121530D+00  0.656818D+00  0.950238D+00  0.176757D+01  0.291735D+01
      6   0.103070D+02 -0.667990D+01  0.199492D+01  0.488863D+01  0.199997D+01
               166           167           168           169           170 
      1  -0.269578D+01 -0.790690D+01 -0.827458D+01 -0.477854D+01 -0.495345D+01
      2  -0.651856D+00  0.135149D+00 -0.605088D+01 -0.759007D+00 -0.458949D+01
      3   0.334764D+01  0.777175D+01  0.143255D+02  0.553755D+01  0.954295D+01
      4  -0.748306D+00 -0.554219D+01 -0.373323D+01 -0.163217D+01 -0.324530D+01
      5   0.353999D+01  0.697975D-01 -0.435050D+01  0.437545D+01 -0.332955D+00
      6   0.394372D+01  0.101305D+02  0.813525D+01  0.228999D+01  0.790877D+01
               171 
      1  -0.100808D+02
      2  -0.776123D+01
      3   0.178420D+02
      4  -0.282264D+01
      5  -0.241582D+01
      6   0.646412D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x         -0.742876D+00     -0.188820D+01     -0.629836D+01
   y         -0.176742D+01     -0.449234D+01     -0.149848D+02
   z         -0.718479D+00     -0.182619D+01     -0.609152D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.760945D+02      0.112760D+02      0.125463D+02
   yx        -0.269603D+01     -0.399510D+00     -0.444515D+00
   yy         0.776510D+02      0.115067D+02      0.128029D+02
   zx         0.143289D+01      0.212332D+00      0.236252D+00
   zy        -0.141107D+01     -0.209099D+00     -0.232654D+00
   zz         0.681616D+02      0.101005D+02      0.112383D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.789538D+02      0.116997D+02      0.130177D+02
   aniso      0.110045D+02      0.163070D+01      0.181440D+01
   xx         0.809699D+02      0.119985D+02      0.133501D+02
   yx        -0.258153D+01     -0.382543D+00     -0.425637D+00
   yy         0.829562D+02      0.122928D+02      0.136776D+02
   zx         0.197897D+01      0.293254D+00      0.326289D+00
   zy        -0.127772D+01     -0.189339D+00     -0.210668D+00
   zz         0.729353D+02      0.108079D+02      0.120254D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.73937377          2.23904352          1.08554495
     6         -1.88117418         -0.48059512          1.56439485
     6          0.94787025         -0.89168078          0.95010925
     6          1.52651926         -0.12322908         -1.78993980
     8          2.72797093          2.09429922         -2.00600709
     6         -3.56855114         -2.36908427          0.18026249
     7          2.54514824          0.60022698          2.66665461
     8          0.91617865         -1.36785827         -3.58759808
     1          1.33338913         -2.91683820          1.07931053
     1         -2.04641477         -0.86202224          3.59590872
     1          3.05019176          2.64619004         -0.25996411
     1          1.69156950          0.88348038          4.35454103
     1          4.22221412         -0.26015093          2.99461459
     1         -5.53150114         -2.11445910          0.75958720
     1         -3.45026046         -2.11393361         -1.85900059
     1         -3.02295168         -4.31304637          0.60144336
     1         -4.67885243          2.49392422          1.73581253
     1         -1.55771060          3.61399592          2.06654837
     1         -2.69062861          2.68301590         -0.92875161

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.204740D+01      0.520398D+01      0.173586D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.204740D+01      0.520398D+01      0.173586D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.739690D+02      0.109611D+02      0.121958D+02
   aniso      0.105659D+02      0.156571D+01      0.174208D+01
   xx         0.750862D+02      0.111266D+02      0.123800D+02
   yx         0.493121D+01      0.730731D+00      0.813047D+00
   yy         0.727223D+02      0.107763D+02      0.119903D+02
   zx         0.353219D+00      0.523417D-01      0.582379D-01
   zy         0.337069D+01      0.499485D+00      0.555752D+00
   zz         0.740985D+02      0.109803D+02      0.122172D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.789538D+02      0.116997D+02      0.130177D+02
   aniso      0.110045D+02      0.163070D+01      0.181440D+01
   xx         0.795882D+02      0.117938D+02      0.131223D+02
   yx         0.532981D+01      0.789797D+00      0.878768D+00
   yy         0.776998D+02      0.115139D+02      0.128110D+02
   zx         0.298259D+00      0.441975D-01      0.491763D-01
   zy         0.326973D+01      0.484524D+00      0.539105D+00
   zz         0.795733D+02      0.117915D+02      0.131199D+02

 ----------------------------------------------------------------------
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 Statistics are no substitute for judgment.
                            -- Henry Clay
 Job cpu time:       0 days  1 hours 44 minutes 20.2 seconds.
 Elapsed time:       0 days  0 hours 13 minutes  4.7 seconds.
 File lengths (MBytes):  RWF=    228 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:49:31 2021.
